AG00CM3H

34662-28-7 | 3-Chloro-2-nitrobenzonitrile

AG00CM3H

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CAS Number	34662-28-7
Catalog Number	AG00CM3H(AGN-PC-0WANBK)
Chemical Name	3-Chloro-2-nitrobenzonitrile
IUPAC Name	3-chloro-2-nitrobenzonitrile
InChI	InChI=1S/C7H3ClN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
InChI Key	HXBSPURMEQYSSS-UHFFFAOYSA-N
MDL Number	MFCD15529744
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
SMILES	N#CC1=CC=CC(Cl)=C1[N+]([O-])=O
Synonyms	3-Chloro-2-nitrobenzonitrile, 34662-28-7, chloronitro-benzonitrile, SCHEMBL6305, HXBSPURMEQYSSS-UHFFFAOYSA-N, MFCD15529744, ZINC98178439, AKOS022188225, DS-8892, KS-00000S61, AK148311, AB0000194, AJ-139545, ST24042021,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.563g/mol
Monoisotopic Mass	181.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number