CAS 434-76-4

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Also known as: 434-76-4, 6-fluoroanthranilic acid, Benzoic acid, 2-amino-6-fluoro-, Anthralic acid, 6-fluoro-, 2-azanyl-6-fluoranyl-benzoic acid, Mfcd00067781

Molecular Formula

C₇H₆FNO₂

Molecular Weight

155.13 g/mol

InChI Key

RWSFZKWMVWPDGZ-UHFFFAOYSA-N

1 2D Structure

CAS 434-76-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-6-fluorobenzoic acid

2.1.2 InChI

InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)

2.1.3 InChI Key

RWSFZKWMVWPDGZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)F)C(=O)O)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 6-faba Cpd

2.2.2 Depositor-Supplied Synonyms

1. 434-76-4

2. 6-fluoroanthranilic Acid

3. Benzoic Acid, 2-amino-6-fluoro-

4. Anthralic Acid, 6-fluoro-

5. 2-azanyl-6-fluoranyl-benzoic Acid

6. Mfcd00067781

7. 2,amino-6-fluorobenzoic Acid

8. 2-amino-6-fluoro-benzoic Acid

9. 4owo

10. 6-fluoroanthranilate

11. 6-fluoroanthanilic Acid

12. Amino-6-fluorobenzoic Acid

13. 6-faba

14. 2-amino-6-fluorobenzoicacid

15. Oprea1_302702

16. Schembl283962

17. Chembl4453722

18. Dtxsid60963006

19. Pc1071m

20. Zinc153055

21. Act11906

22. Bcp16598

23. 2-amino-6-fluorobenzoic Acid, 98%

24. Akos005064108

25. Ac-3438

26. Bs-3856

27. Cs-w001131

28. Bp-20086

29. Sy005291

30. Db-024020

31. A1692

32. Am20061163

33. F0475

34. Ft-0621129

35. En300-41610

36. W-202763

37. Q27456372

38. Z1238477766

39. 6f0

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₆FNO₂
Molecular Weight	155.13 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	155.03825660 g/mol
Monoisotopic Mass	155.03825660 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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