AG00E9PX

5866-98-8 | 2,6-Dichloro-3-nitrobenzonitrile

AG00E9PX

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CAS Number	5866-98-8
Catalog Number	AG00E9PX(AGN-PC-0LBJC3)
Chemical Name	2,6-Dichloro-3-nitrobenzonitrile
IUPAC Name	2,6-dichloro-3-nitrobenzonitrile
InChI	InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
InChI Key	NSKVWZIEYFSHIM-UHFFFAOYSA-N
MDL Number	MFCD00051513
Molecular Formula	C7H2Cl2N2O2
Molecular Weight	217.0090
SMILES	N#CC1=C(Cl)C=CC([N+]([O-])=O)=C1Cl
Synonyms	2,6-dichloro-3-nitrobenzonitrile, 5866-98-8, 2,6-dichloro-3-nitrobenzenecarbonitrile, MFCD00051513, Benzonitrile, 2,6-dichloro-3-nitro-, AK-92965, ACMC-1ALA2, AC1NB3L5, dichloronitrobenzenecarbonitrile, SCHEMBL894816, CTK1G7988, KS-00000MPJ, DTXSID80403535, NSKVWZIEYFSHIM-UHFFFAOYSA-N, ZINC157087, 8707AB, ANW-44262, SBB095345, AKOS005070732, FCH1320578, MCULE-5158620600, RP12545, AJ-14877, SC-38689, AX8068101, ST2403729, TL8003754, TR-020381, FT-0610568, ST50826942, 2,6-bis(chloranyl)-3-nitro-benzenecarbonitrile, Y-9581, 5W-0330, 866D988, A831973, J-507422, I01-13928, C7H2Cl2N2O2, 2,6-dichloro-3-nitorbenzonitirle, ZINC00157087, CID4461932,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.949g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.005g/mol
Monoisotopic Mass	215.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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