2-Chlorobenzonitrile manufacturers and suppliers on PharmaCompass

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Also known as: 873-32-5, O-chlorobenzonitrile, Benzonitrile, 2-chloro-, O-chlorocyanobenzene, O-cyanochlorobenzene, Benzonitrile, o-chloro-
Molecular Formula
C7H4ClN
Molecular Weight
137.56  g/mol
InChI Key
NHWQMJMIYICNBP-UHFFFAOYSA-N
FDA UNII
C8Z5NE7QXJ

2-Chlorobenzonitrile
1 2D Structure

2-Chlorobenzonitrile

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
2.1.3 InChI Key
NHWQMJMIYICNBP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C#N)Cl
2.2 Other Identifiers
2.2.1 UNII
C8Z5NE7QXJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 873-32-5

2. O-chlorobenzonitrile

3. Benzonitrile, 2-chloro-

4. O-chlorocyanobenzene

5. O-cyanochlorobenzene

6. Benzonitrile, O-chloro-

7. 2-chloro-benzonitrile

8. O-chlorbenzonitril

9. Chlorobenzonitrile

10. Nitril Kyseliny O-chlorbenzoove

11. Dtxsid5052593

12. Nsc-8438

13. 61593-47-3

14. O-chlorbenzonitril [czech]

15. Nitril Kyseliny O-chlorbenzoove [czech]

16. Ocbn

17. Benzonitrile, Chloro-

18. 1-chloro-2-cyanobenzene

19. Nsc 8438

20. Einecs 212-836-5

21. Wln: Ncr Bg

22. C8z5ne7qxj

23. Ec 212-836-5

24. 2-chlorobenzonitrile, 98%

25. 2-chlorobenzoic Acid Nitrile

26. Schembl73332

27. 2-chloranylbenzenecarbonitrile

28. Chembl3248211

29. Dtxcid2031166

30. Nsc8438

31. Amy18038

32. Str01137

33. Tox21_303775

34. Mfcd00001779

35. Akos003616763

36. Cs-w018317

37. Ps-4027

38. Ncgc00357067-01

39. Cas-873-32-5

40. Ns00009628

41. En300-18409

42. A842092

43. W-104032

44. Z57756581

45. F0020-1816

46. Inchi=1/c7h4cln/c8-7-4-2-1-3-6(7)5-9/h1-4

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 137.56 g/mol
Molecular Formula C7H4ClN
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area23.8
Heavy Atom Count9
Formal Charge0
Complexity135
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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