AG00DG4D

53938-24-2 | 1-BROMO-4,5-DIMETHYL-2-NITROBENZENE

AG00DG4D

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CAS Number	53938-24-2
Catalog Number	AG00DG4D(AGN-PC-0JWMIP)
Chemical Name	1-BROMO-4,5-DIMETHYL-2-NITROBENZENE
IUPAC Name	1-bromo-4,5-dimethyl-2-nitrobenzene
InChI	InChI=1S/C8H8BrNO2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,1-2H3
InChI Key	BXLRLFDGLUSGQD-UHFFFAOYSA-N
MDL Number	MFCD01463597
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=[N+](C1=CC(C)=C(C)C=C1Br)[O-]
Synonyms	1-bromo-4,5-dimethyl-2-nitrobenzene, 53938-24-2, Benzene, 1-bromo-4,5-dimethyl-2-nitro-, AC1LGRV6, 4-Bromo-5-nitro-o-xylene, SCHEMBL864403, CTK1E3490, DTXSID10356540, 2-Bromo-4,5-dimethylnitrobenzene, BXLRLFDGLUSGQD-UHFFFAOYSA-N, ZINC345658, 7714AB, MFCD01463597, QC-906, SBB097535, 2-bromo-4,5-dimethyl-1-nitrobenzene, AKOS000280786, AJ-20025, AS-45889, CS-0062273, C8H8BrNO2, CID825937, AE-562/12222418,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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