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2D Structure
Also known as: 37742-98-6, 4-bromo-2,2-diphenylbutanoic acid, 4-bromo-2,2-diphenylbutyricacid, Na0atv0sqd, 37742-12-4, Benzeneacetic acid, a-(2-bromoethyl)-a-phenyl-
Molecular Formula
C16H15BrO2
Molecular Weight
319.19  g/mol
InChI Key
GFIYIIRFIODLLU-UHFFFAOYSA-N
FDA UNII
NA0ATV0SQD

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2,2-diphenylbutanoic acid
2.1.2 InChI
InChI=1S/C16H15BrO2/c17-12-11-16(15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)
2.1.3 InChI Key
GFIYIIRFIODLLU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(CCBr)(C2=CC=CC=C2)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
NA0ATV0SQD
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 37742-98-6

2. 4-bromo-2,2-diphenylbutanoic Acid

3. 4-bromo-2,2-diphenylbutyricacid

4. Na0atv0sqd

5. 37742-12-4

6. Benzeneacetic Acid, A-(2-bromoethyl)-a-phenyl-

7. Einecs 253-648-3

8. Unii-na0atv0sqd

9. Schembl395172

10. Dtxsid20191181

11. 4-bromo-2,2-diphenyl-butyric Acid

12. Zinc2379642

13. Bbl103969

14. Mfcd01321300

15. Stl557779

16. Akos005254450

17. 4-bromanyl-2,2-diphenyl-butanoic Acid

18. Ds-0940

19. Ac-13030

20. Db-049185

21. B3597

22. Ft-0617728

23. Ft-0660926

24. O11168

25. 742b986

26. A823850

27. Sr-01000944698

28. Alpha-(2-bromoethyl)-alpha-phenylbenzeneacetic Acid

29. Sr-01000944698-1

30. W-106518

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 319.19 g/mol
Molecular Formula C16H15BrO2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass318.02554 g/mol
Monoisotopic Mass318.02554 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1