CAS 37742-98-6

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 8 Related Intermediates

2 Suppliers
2 End Use APIs
8 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

CAS 37742-98-6

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 Formula	C₁₆H₁₅BrO₂
Molecular Weight	319.19 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	318.02554 g/mol
Monoisotopic Mass	318.02554 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	273
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