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5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile - CAS 35982-98-0

Catalog:	BB022823
Product Name:	5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS:	35982-98-0
Synonyms:	5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile; 5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
Description:	5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS# 35982-98-0) is a useful research chemical.
Molecular Weight:	230.65
Molecular Formula:	C12H7ClN2O
Canonical SMILES:	C1=CC(=CC=C1C2=CNC(=O)C(=C2)C#N)Cl
InChI:	InChI=1S/C12H7ClN2O/c13-11-3-1-8(2-4-11)10-5-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16)
InChI Key:	ZZPSWSVVNQNXJE-UHFFFAOYSA-N
MDL:	MFCD00231524
LogP:	2.56698

Publication Number	Title	Priority Date
CN-1038249-C	Dihydropyridazinones, pyridazinones and related compounds as fungicides	19910828
CN-1069729-A	Dihydropyridazinone, pyridazinone and related compound thereof as sterilant	19910828
AU-651375-B2	Dihydrohyridazinones, pyridazinones and related compounds as fungicides	19900921
CA-2051471-A1	Dihydropyridazinones, pyridazinones and related compounds as fungicides	19900921
EP-0478195-A1	Dihydropyridazinones, pyridazinones and related compounds as fungicides	19900921

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Complexity:	408
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.0246905
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9