3-(2-fluorophenyl)propanoic acid

3-(2-fluorophenyl)propanoic acid

CAS: 1643-26-1

Formula: C9H9FO2

SMILES: OC(=O)CCC1=CC=CC=C1F

IUPAC: 3-(2-fluorophenyl)propanoic acid

InChI: InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Composition: C (64.28%), H (5.39%), F (11.30%), O (19.03%)

Molar Mass: 168.167

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.058657693
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GUZLQEOSDXLCKX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.18
Topological Polar Surface Area	37.3
Polarizability	16.07
Ring Count	1
Rotatable Bond Count	3

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