CAS 38762-41-3 | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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2D Structure

Also known as: 38762-41-3, 2-chloro-4-bromoaniline, Benzenamine, 4-bromo-2-chloro-, 4-bromo-2-chloro-phenylamine, 4-bromo-2-chloro-aniline, 4-bromo-2-chlorophenylamine

Molecular Formula

C₆H₅BrClN

Molecular Weight

206.47 g/mol

InChI Key

INMZDDDQLHKGPF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-2-chloroaniline

2.1.2 InChI

InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

2.1.3 InChI Key

INMZDDDQLHKGPF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Br)Cl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38762-41-3

2. 2-chloro-4-bromoaniline

3. Benzenamine, 4-bromo-2-chloro-

4. 4-bromo-2-chloro-phenylamine

5. 4-bromo-2-chloro-aniline

6. 4-bromo-2-chlorophenylamine

7. 4-bromo-2-chlorobenzenamine

8. Mfcd00007660

9. 2-chloro4-bromoaniline

10. 4-brom-2-chlor-anilin

11. 4-bromo-2-chlorophenylarnine

12. Aniline, 4-bromo-2-chloro-

13. Schembl160438

14. 4-bromo-2-chloroaniline, 98%

15. Dtxsid401027990

16. Zinc388335

17. Act00119

18. Str08116

19. Bbl035749

20. Stl087632

21. Akos000114241

22. Ac-4438

23. Cs-w020030

24. Ps-3215

25. Sb78172

26. A6540

27. Am20061090

28. Ft-0617754

29. En300-20801

30. W-109024

31. F0001-1100

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₅BrClN
Molecular Weight	206.47 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	204.92939 g/mol
Monoisotopic Mass	204.92939 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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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