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  • Chemistry
CAS 121-90-4
Also known as: 121-90-4, M-nitrobenzoyl chloride, Benzoyl chloride, 3-nitro-, Benzoyl chloride, m-nitro-, 3-nitro-benzoyl chloride, Chlorid kyseliny m-nitrobenzoove
Molecular Formula
C7H4ClNO3
Molecular Weight
185.56  g/mol
InChI Key
NXTNASSYJUXJDV-UHFFFAOYSA-N

1 2D Structure

CAS 121-90-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-nitrobenzoyl chloride
2.1.2 InChI
InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H
2.1.3 InChI Key
NXTNASSYJUXJDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 121-90-4

2. M-nitrobenzoyl Chloride

3. Benzoyl Chloride, 3-nitro-

4. Benzoyl Chloride, M-nitro-

5. 3-nitro-benzoyl Chloride

6. Chlorid Kyseliny M-nitrobenzoove

7. Ccris 1186

8. M-nitrobenzoylchloride

9. Nsc 5380

10. Einecs 204-505-9

11. Brn 0777186

12. Chlorid Kyseliny M-nitrobenzoove [czech]

13. Ai3-14869

14. Propargyl Tosylates

15. M-nitrobenzoylchlorid

16. 3-nitrobenzoylchloride

17. 3-nitro-benzoylchloride

18. 5-nitrobenzoyl Chloride

19. M-nitro Benzoyl Chloride

20. 3-nitro Benzoyl Chloride

21. Wln: Wnr Cvg

22. Dsstox_cid_5740

23. Dsstox_rid_77901

24. Dsstox_gsid_25740

25. Schembl206387

26. 3-nitrobenzoyl Chloride, 98%

27. Chembl1517721

28. Dtxsid9025740

29. Schembl12364178

30. Nxtnassyjuxjdv-uhfffaoysa-

31. Nsc5380

32. Nsc-5380

33. Zinc1680882

34. 3-nitrobenzoic Acid Chloride

35. Tox21_201094

36. Mfcd00007247

37. Akos009029172

38. Ncgc00091584-01

39. Ncgc00091584-02

40. Ncgc00258646-01

41. Cas-121-90-4

42. Ps-10702

43. Db-041638

44. Ft-0631696

45. N0174

46. E78883

47. 3-nitrobenzoyl Chloride, Purum, >=99.0% (t)

48. A804811

49. W-108446

50. F2190-0075

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 185.56 g/mol
Molecular Formula C7H4ClNO3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass184.9879707 g/mol
Monoisotopic Mass184.9879707 g/mol
Topological Polar Surface Area62.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity201
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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