1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-3-chlorophenol;hydrochloride

2.1.2 InChI

InChI=1S/C6H6ClNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H

2.1.3 InChI Key

RFJVQGMBFQGZPV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1O)Cl)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52671-64-4

2. 4-amino-3-chlorophenol Hcl

3. 4-amino-3-chlorophenol;hydrochloride

4. 2-chloro-4-hydroxyaniline Hydrochloride

5. Mfcd00143110

6. Phenol, 4-amino-3-chloro-, Hydrochloride

7. 4-amino-3-chlorophenolhydrochloride

8. Phenol, 4-amino-3-chloro-, Hydrochloride (1:1)

9. Schembl249529

10. Dtxsid80503908

11. Act06778

12. Bcp11294

13. 3-chloro-4-aminophenol Hydrochloride

14. Am1053

15. 4-amino-3-chloro-phenol Hydrochloride

16. Akos015888229

17. Ac-9465

18. Cs-w017237

19. 2-chloro-4-hydroxy-aniline Hydrochloride

20. 4-azanyl-3-chloranyl-phenol Hydrochloride

21. Sy013879

22. Ts-02509

23. 4-amino-3-chlorophenol Hydrochloride, 98%

24. A1376

25. Ft-0617493

26. 4-amino-3-chlorophenol--hydrogen Chloride (1/1)

27. A829194

28. A851391

29. 4-amino-3-chlorophenol Hcl;2-chloro-4-hydroxyaniline Hydrochloride;3-chloro-4-aminophenol Hydrochloride

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₇Cl₂NO
Molecular Weight	180.03 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	178.9904692 g/mol
Monoisotopic Mass	178.9904692 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	10
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	2

52671-64-4

52671-64-4

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