4-bromo-2,2-diphenylbutanoic acid

4-bromo-2,2-diphenylbutanoic acid

CAS: 37742-98-6

Formula: C16H15BrO2

SMILES: OC(=O)C(CCBr)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 4-bromo-2,2-diphenylbutanoic acid

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)

Composition: C (60.21%), H (4.74%), Br (25.03%), O (10.02%)

Molar Mass: 319.198

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.025543
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GFIYIIRFIODLLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.98
Topological Polar Surface Area	37.3
Polarizability	30.41
Ring Count	2
Rotatable Bond Count	5

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