3'-chloro-5'-fluoro-[1,1'-biphenyl]-4-carbonitrile

3'-chloro-5'-fluoro-[1,1'-biphenyl]-4-carbonitrile

CAS: 1237749-88-0

Formula: C13H7ClFN

SMILES: FC1=CC(Cl)=CC(=C1)C1=CC=C(C=C1)C#N

IUPAC: 3'-chloro-5'-fluoro-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C13H7ClFN/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-7H

Composition: C (67.40%), H (3.05%), Cl (15.30%), F (8.20%), N (6.05%)

Molar Mass: 231.65

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.0251051
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MIDWMQUVIBOKEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.94
Topological Polar Surface Area	23.79
Polarizability	24.62
Ring Count	2
Rotatable Bond Count	1

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