2-Fluoro-4-(4-methoxyphenyl)benzonitrile - CAS 123864-93-7

Catalog:	BB056141
Product Name:	2-Fluoro-4-(4-methoxyphenyl)benzonitrile
CAS:	123864-93-7
Synonyms:	2-fluoro-4-(4-methoxyphenyl)benzonitrile; 3-Fluoro-4'-methoxy[1,1'-biphenyl]-4-carbonitrile; 3-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carbonitrile; 4-Cyano-3-fluoro-4'-methoxybiphenyl

Technical Data

Computed Properties

IUPAC Name:	2-fluoro-4-(4-methoxyphenyl)benzonitrile
Description:	2-Fluoro-4-(4-methoxyphenyl)benzonitrile
Molecular Weight:	227.23
Molecular Formula:	C14H10FNO
Canonical SMILES:	COC1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)F
InChI:	InChI=1S/C14H10FNO/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3
InChI Key:	CBUDFMDIMMTHQP-UHFFFAOYSA-N

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.074642105
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.074642105
Rotatable Bond Count:	2
Topological Polar Surface Area:	33Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3