4-bromo-2-phenylbutanoic acid

4-bromo-2-phenylbutanoic acid

CAS: 6836-99-3

Formula: C10H11BrO2

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

IUPAC: 4-bromo-2-phenylbutanoic acid

InChI: InChI=1/C10H11BrO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)

Composition: C (49.41%), H (4.56%), Br (32.87%), O (13.16%)

Molar Mass: 243.1

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	241.994243
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XUHOQWJGOZLWST-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.5
Topological Polar Surface Area	37.3
Polarizability	20.94
Ring Count	1
Rotatable Bond Count	4

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