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    CAS 1975-50-4

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    CAS 1975-50-4
    Also known as: 1975-50-4, 3-nitro-o-toluic acid, Benzoic acid, 2-methyl-3-nitro-, Mfcd00007160, 3-nitro-2-methylbenzoic acid, 3-nitro-2-methyl benzoic acid
    Molecular Formula
    C8H7NO4
    Molecular Weight
    181.15  g/mol
    InChI Key
    YPQAFWHSMWWPLX-UHFFFAOYSA-N
    FDA UNII
    0SI17D349B
    1 2D Structure

    CAS 1975-50-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methyl-3-nitrobenzoic acid
    2.1.2 InChI
    InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
    2.1.3 InChI Key
    YPQAFWHSMWWPLX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0SI17D349B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1975-50-4

    2. 3-nitro-o-toluic Acid

    3. Benzoic Acid, 2-methyl-3-nitro-

    4. Mfcd00007160

    5. 3-nitro-2-methylbenzoic Acid

    6. 3-nitro-2-methyl Benzoic Acid

    7. 0si17d349b

    8. 2-methyl-3-nitrobenzoicacid

    9. Einecs 217-826-4

    10. Unii-0si17d349b

    11. 2-methyl-3-nitro-benzoic Acid

    12. Ncgc00091604-01

    13. Dsstox_cid_5637

    14. Methyl 3-nitrobenzoic Acid

    15. Dsstox_rid_77863

    16. 3-nitro-2-methybenzoic Acid

    17. Dsstox_gsid_25637

    18. Oprea1_641068

    19. Schembl33663

    20. Mls002454366

    21. 2-methyl-3-nitro Benzoic Acid

    22. Chembl1487536

    23. Dtxsid7025637

    24. Hms3039b15

    25. Act12278

    26. Bcp24500

    27. Zinc2567944

    28. Tox21_201228

    29. 5h-octafluoropentanoylfluoride

    30. Bbl019291

    31. Stl199615

    32. 2-methyl-3-nitrobenzoic Acid, 99%

    33. Akos000120247

    34. Akos025395639

    35. Ac-2645

    36. Am84672

    37. Ps-6005

    38. Methyl-3-nitrobenzoic Acid, 2-

    39. Ncgc00091604-02

    40. Ncgc00258780-01

    41. Smr001371990

    42. Sy002381

    43. Cas-1975-50-4

    44. Db-021334

    45. Cs-0030570

    46. Ft-0612948

    47. M0892

    48. M-4208

    49. J-509956

    50. Q27237202

    51. F2191-0034

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 181.15 g/mol
    Molecular Formula C8H7NO4
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass181.03750770 g/mol
    Monoisotopic Mass181.03750770 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity223
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      2-METHYL-3-NITROBENZOIC ACID

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      1975-50-4
      Lenalidomide
      Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...
      Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules
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        Lenalidomide
        Saflik Pharma is a registered company that was started with the aim of providing top notch quality of pha...
        Saflik Pharma is a registered company that was started with the aim of providing top notch quality of pharmaceutical API’s and Intermediates to our buyers. We strive to help our clients and deliver the required services at very competitive prices within a limited timeframe. Our expert team ensures that our clients never have to face any problems whatsoever and they have a very happy and contended experience with us. We are an emerging pharmaceutical Intermediates and API manufacturer that focusses on providing high quality materials at competitive prices. We also provide custom synthesis of molecules.
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          Ropinirole Hydrochloride
          Saflik Pharma is a registered company that was started with the aim of providing top notch quality of pha...
          Saflik Pharma is a registered company that was started with the aim of providing top notch quality of pharmaceutical API’s and Intermediates to our buyers. We strive to help our clients and deliver the required services at very competitive prices within a limited timeframe. Our expert team ensures that our clients never have to face any problems whatsoever and they have a very happy and contended experience with us. We are an emerging pharmaceutical Intermediates and API manufacturer that focusses on providing high quality materials at competitive prices. We also provide custom synthesis of molecules.
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