2-Chloro-3-nitrobenzonitrile - CAS 34662-24-3

Catalog:	BB022227
Product Name:	2-Chloro-3-nitrobenzonitrile
CAS:	34662-24-3
Synonyms:	2-chloro-3-nitrobenzonitrile; 2-chloro-3-nitrobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-3-nitrobenzonitrile
Description:	2-Chloro-3-nitrobenzonitrile (CAS# 34662-24-3) is a useful research chemical.
Molecular Weight:	182.56
Molecular Formula:	C7H3ClN2O2
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C#N
InChI:	InChI=1S/C7H3ClN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H
InChI Key:	AGZYMTWFJLEBIJ-UHFFFAOYSA-N
LogP:	2.64308

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
CN-111848598-A	Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound	20190426
CN-110520127-A	The heteoaromatic carboxamide that the piperidinyl of regulator as GPR6 replaces and the heteoaromatic carboxamide replaced through piperazinyl	20170326
AU-2017382360-A1	Compounds, compositions and methods of use	20161223
CA-3047404-A1	Compounds, compositions and methods of use	20161223

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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.988305
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.988305
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1