4-[(3-fluorophenyl)methyl]benzoic acid

4-[(3-fluorophenyl)methyl]benzoic acid

CAS: 1258540-14-5

Formula: C14H11FO2

SMILES: OC(=O)C1=CC=C(CC2=CC=CC(F)=C2)C=C1

IUPAC: 4-[(3-fluorophenyl)methyl]benzoic acid

InChI: InChI=1S/C14H11FO2/c15-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14(16)17/h1-7,9H,8H2,(H,16,17)

Composition: C (73.03%), H (4.82%), F (8.25%), O (13.90%)

Molar Mass: 230.238

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.074307757
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SJHWVLADKRXQQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.27
Topological Polar Surface Area	37.3
Polarizability	23.67
Ring Count	2
Rotatable Bond Count	3

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