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

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

CAS: 457-97-6

Formula: C14H11FO3

SMILES: OC(=O)C1=CC(OCC2=CC=C(F)C=C2)=CC=C1

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

InChI: InChI=1S/C14H11FO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)

Composition: C (68.29%), H (4.50%), F (7.72%), O (19.49%)

Molar Mass: 246.237

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.069222377
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IRGZUAFLKNHSLJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.61
Topological Polar Surface Area 46.53
Polarizability 24.44
Ring Count 2
Rotatable Bond Count 4

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