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2D Structure
Also known as: 38487-86-4, 5-chloro-2-cyanoaniline, Benzonitrile, 2-amino-4-chloro-, 4-chloro-2-aminobenzonitrile, 4-chloroanthranilonitrile, Mfcd00035927
Molecular Formula
C7H5ClN2
Molecular Weight
152.58  g/mol
InChI Key
UZHALXIAWJOLLR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-4-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
2.1.3 InChI Key
UZHALXIAWJOLLR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Cl)N)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 38487-86-4

2. 5-chloro-2-cyanoaniline

3. Benzonitrile, 2-amino-4-chloro-

4. 4-chloro-2-aminobenzonitrile

5. 4-chloroanthranilonitrile

6. Mfcd00035927

7. 2-azanyl-4-chloranyl-benzenecarbonitrile

8. Einecs 253-967-8

9. 2-amino-4-chloroberizonitrile

10. Bidd:gt0102

11. Schembl166558

12. 2-amino-4-chloro-benzonitrile

13. 4-chloro-2-amino Benzonitrile

14. Dtxsid0068109

15. 3-methoxy-2-methyl-6-nitro-phenol

16. 2-amino-4-chlorobenzonitrile, 99%

17. Akos000119916

18. Ccg-302547

19. Cs-w016290

20. Ps-3800

21. Sy018920

22. Db-020424

23. Ns00030403

24. En300-20714

25. A824173

26. W-106480

27. F2190-0447

28. Z104480158

29. Inchi=1/c7h5cln2/c8-6-2-1-5(4-9)7(10)3-6/h1-3h,10h

30. I7z

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 152.58 g/mol
Molecular Formula C7H5ClN2
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.8
Heavy Atom Count10
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1