4CH-015883

Chemistry

Chemistry

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 7499-07-2, 4-chloro-2-methylbenzoicacid, Benzoic acid, 4-chloro-2-methyl-, 4-chloro-o-toluic acid, 2-methyl-4-chlorobenzoic acid, Mfcd00045852

Molecular Formula

C₈H₇ClO₂

Molecular Weight

170.59 g/mol

InChI Key

XXFKOBGFMUIWDH-UHFFFAOYSA-N

1 2D Structure

4CH-015883

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-2-methylbenzoic acid

2.1.2 InChI

InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

2.1.3 InChI Key

XXFKOBGFMUIWDH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)Cl)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 7499-07-2

2. 4-chloro-2-methylbenzoicacid

3. Benzoic Acid, 4-chloro-2-methyl-

4. 4-chloro-o-toluic Acid

5. 2-methyl-4-chlorobenzoic Acid

6. Mfcd00045852

7. 4-chloro-2-methyl-benzoic Acid

8. Nsc407521

9. O-toluic Acid, 4-chloro-

10. Schembl109654

11. Dtxsid60324678

12. Zinc160567

13. Act07373

14. Cl8113

15. 4-chloro-2-methylbenzoic Acid, 96%

16. Akos005258514

17. Ac-9040

18. Cs-w008346

19. Fs-1530

20. Nsc 407521

21. Nsc-407521

22. Sy017097

23. Db-011427

24. Am20060096

25. Ft-0636510

26. Ae-842/31479031

27. J-514969

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO₂
Molecular Weight	170.59 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	170.0134572 g/mol
Monoisotopic Mass	170.0134572 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

7499-07-2

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About the Company

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).

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CAS Number

7499-07-2

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MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...

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Shouyuan Chemical

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CAS Number

02-07-7499

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About the Company

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.

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