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Also known as: 399-95-1, 3-fluoro-4-aminophenol, 2-fluoro-4-hydroxyaniline, Phenol, 4-amino-3-fluoro-, 4-amino-3-fluoro-phenol, Mfcd00077452
Molecular Formula
C6H6FNO
Molecular Weight
127.12  g/mol
InChI Key
MNPLTKHJEAFOCA-UHFFFAOYSA-N

CAS 399-95-1
1 2D Structure

CAS 399-95-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-3-fluorophenol
2.1.2 InChI
InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
2.1.3 InChI Key
MNPLTKHJEAFOCA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1O)F)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 399-95-1

2. 3-fluoro-4-aminophenol

3. 2-fluoro-4-hydroxyaniline

4. Phenol, 4-amino-3-fluoro-

5. 4-amino-3-fluoro-phenol

6. Mfcd00077452

7. 3-fluoro-4-amino-phenol

8. 4-amino-3 -fluorophenol

9. Ec 402-230-0

10. Schembl33965

11. Dtxsid60192950

12. Act11612

13. Bcp07694

14. Cs-m1784

15. Zinc2555149

16. Akos009158959

17. Ac-3748

18. Bp20315

19. Fd16013

20. Ps-9172

21. Bp-20315

22. Sy031709

23. Db-006638

24. A6676

25. Am20050554

26. Ft-0617494

27. 399a951

28. J-514362

29. 4-amino-3-fluorophenol 100 Microg/ml In Acetonitrile

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 127.12 g/mol
Molecular Formula C6H6FNO
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass127.043341977 g/mol
Monoisotopic Mass127.043341977 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count9
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 Count1

BUILDING BLOCK

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