CAS 17609-80-2

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Also known as: 17609-80-2, Phenol, 4-amino-3-chloro-, 3-chloro-4-aminophenol, 2-chloro-4-hydroxyaniline, 4-amino-3-chloro-phenol, Mfcd00801116

Molecular Formula

C₆H₆ClNO

Molecular Weight

143.57 g/mol

InChI Key

PNLPXABQLXSICH-UHFFFAOYSA-N

1 2D Structure

CAS 17609-80-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-3-chlorophenol

2.1.2 InChI

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

2.1.3 InChI Key

PNLPXABQLXSICH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-chloro-4-aminophenol

2.2.2 Depositor-Supplied Synonyms

1. 17609-80-2

2. Phenol, 4-amino-3-chloro-

3. 3-chloro-4-aminophenol

4. 2-chloro-4-hydroxyaniline

5. 4-amino-3-chloro-phenol

6. Mfcd00801116

7. Einecs 241-583-3

8. Brn 2802558

9. Schembl33714

10. 3-13-00-01184 (beilstein Handbook Reference)

11. Dtxsid30170083

12. Am790

13. Zinc395500

14. Act11707

15. Bcp09854

16. Akos009157102

17. Ac-7579

18. Cs-w019864

19. Mb01478

20. Ds-12517

21. Sy019740

22. A3909

23. Ft-0602142

24. 3-chloro-4-aminophenol;4-amino-3-chloro-pheno

25. A19882

26. 609a802

27. An-584/43422655

28. W-107841

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₆ClNO
Molecular Weight	143.57 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	143.0137915 g/mol
Monoisotopic Mass	143.0137915 g/mol
Topological Polar Surface Area	46.2 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