CAS 38487-86-4

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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

CAS 38487-86-4

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 Formula	C₇H₅ClN₂
Molecular Weight	152.58 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.8
Heavy Atom Count	10
Formal Charge	0
Complexity	160
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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