Benzofuran-4-carbonitrile - CAS 95333-17-8

Catalog:	BB041689
Product Name:	Benzofuran-4-carbonitrile
CAS:	95333-17-8
Synonyms:	4-benzofurancarbonitrile; 1-benzofuran-4-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzofuran-4-carbonitrile
Description:	Benzofuran-4-carbonitrile (CAS# 95333-17-8) is a useful research chemical.
Molecular Weight:	143.14
Molecular Formula:	C9H5NO
Canonical SMILES:	C1=CC(=C2C=COC2=C1)C#N
InChI:	InChI=1S/C9H5NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H
InChI Key:	VCQONKRSTAUGEP-UHFFFAOYSA-N
LogP:	2.30448

Publication Number	Title	Priority Date
WO-2020264405-A1	Rho kinase inhibitors and compositions and methods of use thereof	20190628
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422
CN-110734436-A	Pyrimidine or pyrazine ring compounds and application thereof	20180719
CN-110563722-A	pyridine or pyridazine ring compound and application thereof	20180606

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.037113783
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2