AG00IANE

601-88-7 | Benzene, 1,3-dichloronitro-

AG00IANE

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CAS Number	601-88-7
Catalog Number	AG00IANE(AGN-PC-0JKA79)
Chemical Name	Benzene, 1,3-dichloronitro-
EC Number	210-009-3
IUPAC Name	1,3-dichloro-2-nitrobenzene
InChI	InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChI Key	VITSNECNFNNVQB-UHFFFAOYSA-N
MDL Number	MFCD00456795
Molecular Formula	C6H3Cl2NO2
Molecular Weight	191.9995
SMILES	[O-][N+](=O)C1=C(Cl)C=CC=C1Cl
UN Number	1578
Synonyms	1,3-Dichloro-2-nitrobenzene, 601-88-7, 2,6-Dichloronitrobenzene, 1,3-Dichloro-2-nitro-benzene, EINECS 210-009-3, Benzene, 1,3-dichloronitro-, 2,6-DICHLORO-1-NITROBENZENE, Benzene, 1,3-dichloro-2-nitro-, ACMC-209mic, 2,6-dichloro-nitrobenzene, AC1L1Y2F, SCHEMBL670917, CTK3J5002, KS-00000LYX, DTXSID00208847, VITSNECNFNNVQB-UHFFFAOYSA-N, ACT12750, ZINC2034486, AC-326, ANW-33442, KM0378, MFCD00456795, AKOS006221384, CS-W007920, LS11646, AJ-32993, AK-77251, AN-15929, BC210747, CJ-07514, CJ-31876, DS-17028, SC-16149, AB0012303, LS-185763, RT-002307, ST2414807, 4CH-014411, D3449, 601D887, I01-8963, W-105274, C6H3Cl2NO2, C6-H3-Cl2-N-O2, CID11759, A13370, N/A,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.995g/mol
Monoisotopic Mass	190.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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