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2D Structure
Also known as: 52671-64-4, 4-amino-3-chlorophenol hcl, 4-amino-3-chlorophenol;hydrochloride, 2-chloro-4-hydroxyaniline hydrochloride, Mfcd00143110, Phenol, 4-amino-3-chloro-, hydrochloride
Molecular Formula
C6H7Cl2NO
Molecular Weight
180.03  g/mol
InChI Key
RFJVQGMBFQGZPV-UHFFFAOYSA-N

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 Weight 180.03 g/mol
Molecular Formula C6H7Cl2NO
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass178.9904692 g/mol
Monoisotopic Mass178.9904692 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2