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3'-cyano-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

3'-cyano-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1261977-67-6

Formula: C14H8FNO2

SMILES: OC(=O)C1=CC=C(F)C(=C1)C1=CC(=CC=C1)C#N

IUPAC: 3'-cyano-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H8FNO2/c15-13-5-4-11(14(17)18)7-12(13)10-3-1-2-9(6-10)8-16/h1-7H,(H,17,18)

Composition: C (69.71%), H (3.34%), F (7.88%), N (5.81%), O (13.26%)

Molar Mass: 241.221

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.053906665
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SHAXFUGKVKKRTB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.39
Topological Polar Surface Area 61.09
Polarizability 25.08
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1261977-67-6 $626.75-$1,713.50$626.75$1,713.50
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