AG003J9M

34662-30-1 | 3-Chloro-5-nitrobenzonitrile

AG003J9M

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CAS Number	34662-30-1
Catalog Number	AG003J9M(AGN-PC-0JTMBH)
Chemical Name	3-Chloro-5-nitrobenzonitrile
IUPAC Name	3-chloro-5-nitrobenzonitrile
InChI	InChI=1S/C7H3ClN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
InChI Key	HLEQCLVTXOSSQV-UHFFFAOYSA-N
MDL Number	MFCD00463805
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
SMILES	N#CC1=CC([N+]([O-])=O)=CC(Cl)=C1
Synonyms	3-Chloro-5-nitrobenzonitrile, 34662-30-1, Benzonitrile, 3-chloro-5-nitro-, HLEQCLVTXOSSQV-UHFFFAOYSA-N, AC1LCM4Y, 3-Chloro-5-cyanonitrobenzene, KSC497K7J, 3-chloro-5-nitro-benzonitrile, ACMC-209i97, SCHEMBL3771130, Jsp006275, CTK3J7574, KS-00000EDJ, DTXSID10345217, ZINC4013981, ANW-27929, MFCD00463805, STK365707, AKOS005442675, AC-3307, MCULE-9412533043, RTR-014328, TRA0075199, AJ-47670, AK-82844, AN-13124, CJ-11256, DS-16944, SC-27372, SY004576, AB0061087, AB1000146, DB-012747, TR-014328, CS-0042807, FT-0692124, V5352, Z-3848, MFCD00463805 (97+%), I01-10025, null, C7H3ClN2O2, CID602717, ZINC04013981,

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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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