AG001WDY

16588-02-6 | Benzonitrile, 2-chloro-5-nitro-

AG001WDY

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CAS Number	16588-02-6
Catalog Number	AG001WDY(AGN-PC-0JLVQG)
Chemical Name	Benzonitrile, 2-chloro-5-nitro-
EC Number	240-643-6
IUPAC Name	2-chloro-5-nitrobenzonitrile
InChI	InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChI Key	ZGILLTVEEBNDOB-UHFFFAOYSA-N
MDL Number	MFCD00007292
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
NSC Number	28973
SMILES	ClC1=C(C#N)C=C(C=C1)[N+](=O)[O-]
Synonyms	2-Chloro-5-nitrobenzonitrile, 16588-02-6, Benzonitrile, 2-chloro-5-nitro-, 11588-02-6, EINECS 240-643-6, MFCD00007292, 2-Chlor-5-nitrobenzonitril [German], 5-Nitro-2-chlorobenzonitrile, CHEMBL52706, 2-Chloro-5-nitro-benzonitrile, ZGILLTVEEBNDOB-UHFFFAOYSA-N, 2-chloro-5-nitrobenzenecarbonitrile, 2-Chlor-5-nitrobenzonitril, NSC28973, PubChem4740, AC1Q4RB7, 2-chloro-5-nitrobenzonitril, ACMC-1C79S, 4-Chloro-3-cyanonitrobenzene, 6-Chloro-3-nitrobenzonitrile, KSC494I3F, SCHEMBL892830, 2-Chloro-5-nitrobenzenenitrile, AC1L39M0, Jsp003333, CTK3J4432, WT314, ZINC164503, ACN-S003979, ACT07561, KS-00000EF6, 2-Chloro-5-nitrobenzonitrile, 99%, ANW-22176, BDBM50101952, LABOTEST-BB LT03408095, NSC-28973, SBB055473, STK396662, 2-CHLORO-5-NITRO BENZONITRILE, AKOS000120915, AB00870, AS02386, CS-W017083, MCULE-8240694108, RP24359, RTR-035868, TRA0082660, VZ24312, 4-CHLORO-3-CYANO-1-NITROBENZENE, AC-22491, AC-26124, AJ-16183, AK-32914, AS-10878, BR-32914, CJ-02154, LS-38665, SY010527, ZB008170, AB0008377, DB-020864, ST2409882, TL8001273, TR-035868, 16588-02-6 2-chloro-5-nitrobenzonitrile, AM20061036, FT-0611832, ST50406624, MFCD00007292 (98%), A21148, M-2562, AE-641/00572016, I01-3261, W-107931, C7H3ClN2O2, C7-H3-Cl-N2-O2, Benzonitrile,2-chloro-5-nitro-, CID85504, AR-1E0325, 4,6-dichloro-1,3-benzothiazol-2-amine, C2026, 2-Chloro-5-nitrobenzonitrile, 98.5% - 25G 25g, 16910-79-5,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number