AG00FA7A

69383-68-2 | 1-CHLORO-2,4-DIMETHYL-5-NITRO-BENZENE

AG00FA7A

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CAS Number	69383-68-2
Catalog Number	AG00FA7A(AGN-PC-0TVKR5)
Chemical Name	1-CHLORO-2,4-DIMETHYL-5-NITRO-BENZENE
IUPAC Name	1-chloro-2,4-dimethyl-5-nitrobenzene
InChI	InChI=1S/C8H8ClNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChI Key	IDWXDUNLFIGCAL-UHFFFAOYSA-N
MDL Number	MFCD00547853
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	CC1=CC(=C(C=C1Cl)[N+](=O)[O-])C
Synonyms	1-Chloro-2,4-dimethyl-5-nitrobenzene, 69383-68-2, 1-chloro-2,4-dimethyl-5-nitro-benzene, 5-Chloro-2,4-dimethylnitrobenzene, AC1MQRTA, 4-Chloro-6-nitro-m-xylene, SCHEMBL5068830, 4-Chloride-6-nitro-1,3-xylin, CTK5C9614, DTXSID20392651, IDWXDUNLFIGCAL-UHFFFAOYSA-N, KS-00000M7O, ZINC3138961, 0712AC, ANW-56827, MFCD00547853, AKOS016002426, 1-Nitro-2,4-dimethyl-5-chlorobenzene, DS-3461, AJ-44590, AK100047, Benzene,1-chloro-2,4-dimethyl-5-nitro-, ST2415282, TC-145572, W-2966, C8H8ClNO2, CID3456522, D1436,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.607g/mol
Monoisotopic Mass	185.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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