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4-fluoro-5-methyl-[1,1'-biphenyl]-3-carboxylic acid

4-fluoro-5-methyl-[1,1'-biphenyl]-3-carboxylic acid

Formula: C14H11FO2

SMILES: CC1=CC(=CC(C(O)=O)=C1F)C1=CC=CC=C1

IUPAC: 4-fluoro-5-methyl-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H11FO2/c1-9-7-11(10-5-3-2-4-6-10)8-12(13(9)15)14(16)17/h2-8H,1H3,(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 UJXISFPNQJTRLQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.71
Topological Polar Surface Area 37.3
Polarizability 25.01
Ring Count 2
Rotatable Bond Count 2

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