2'-chloro-5'-methoxy-[1,1'-biphenyl]-3-carbonitrile

2'-chloro-5'-methoxy-[1,1'-biphenyl]-3-carbonitrile

CAS: 1365271-89-1

Formula: C14H10ClNO

SMILES: COC1=CC=C(Cl)C(=C1)C1=CC=CC(=C1)C#N

IUPAC: 2'-chloro-5'-methoxy-[1,1'-biphenyl]-3-carbonitrile

InChI: InChI=1S/C14H10ClNO/c1-17-12-5-6-14(15)13(8-12)11-4-2-3-10(7-11)9-16/h2-8H,1H3

Composition: C (69.00%), H (4.14%), Cl (14.55%), N (5.75%), O (6.57%)

Molar Mass: 243.69

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.0450916
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OZFTUUVOECZVFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.18
Topological Polar Surface Area	33.02
Polarizability	27.5
Ring Count	2
Rotatable Bond Count	2

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