3-(4-bromophenyl)propanoic acid

3-(4-bromophenyl)propanoic acid

CAS: 1643-30-7

Formula: C9H9BrO2

SMILES: OC(=O)CCC1=CC=C(Br)C=C1

IUPAC: 3-(4-bromophenyl)propanoic acid

InChI: InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)

Composition: C (47.19%), H (3.96%), Br (34.88%), O (13.97%)

Molar Mass: 229.073

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.978593
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NCSTWHYWOVZDOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.59
Topological Polar Surface Area	37.3
Polarizability	19.22
Ring Count	1
Rotatable Bond Count	3

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