CAS 451-82-1

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Also known as: 451-82-1, 2-(2-fluorophenyl)acetic acid, O-fluorophenylacetic acid, Benzeneacetic acid, 2-fluoro-, 2-fluorophenyl acetic acid, 2-fluorobenzeneacetic acid

Molecular Formula

C₈H₇FO₂

Molecular Weight

154.14 g/mol

InChI Key

RPTRFSADOICSSK-UHFFFAOYSA-N

1 2D Structure

CAS 451-82-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-fluorophenyl)acetic acid

2.1.2 InChI

InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

2.1.3 InChI Key

RPTRFSADOICSSK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 451-82-1

2. 2-(2-fluorophenyl)acetic Acid

3. O-fluorophenylacetic Acid

4. Benzeneacetic Acid, 2-fluoro-

5. 2-fluorophenyl Acetic Acid

6. 2-fluorobenzeneacetic Acid

7. (2-fluorophenyl)acetic Acid

8. Mfcd00004315

9. Acetic Acid, (o-fluorophenyl)-

10. Nsc 401

11. Einecs 207-196-9

12. 2fluorophenylacetic Acid

13. Ai3-52626

14. Unii-x2w3c5er3n

15. Schembl8645

16. X2w3c5er3n

17. Nsc401

18. Dtxsid1060007

19. 2-fluorophenylacetic Acid, 98%

20. Bdbm16422

21. Amy8707

22. Nsc-401

23. Zinc388687

24. Act12853

25. Stl169023

26. Akos000120439

27. Ac-2853

28. Bs-3849

29. Cs-w020118

30. Sy003125

31. Db-051274

32. F0205

33. Ft-0612447

34. A22006

35. F-6370

36. F2191-0060

37. Z1258992614

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇FO₂
Molecular Weight	154.14 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.04300762 g/mol
Monoisotopic Mass	154.04300762 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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