AG006YL7

219310-40-4 | 1,4-Dibromo-2-methyl-5-nitrobenzene

AG006YL7

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CAS Number	219310-40-4
Catalog Number	AG006YL7(AGN-PC-03MTYX)
Chemical Name	1,4-Dibromo-2-methyl-5-nitrobenzene
IUPAC Name	1,4-dibromo-2-methyl-5-nitrobenzene
InChI	InChI=1S/C7H5Br2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3
InChI Key	LEYVOWUJMKYDOV-UHFFFAOYSA-N
MDL Number	MFCD11846023
Molecular Formula	C7H5Br2NO2
Molecular Weight	294.9281
SMILES	C1C(C)=C(Br)C=C(C=1Br)[N+]([O-])=O
Synonyms	1,4-Dibromo-2-methyl-5-nitrobenzene, 219310-40-4, 2,5-Dibromo-4-nitrotoluene, AK174331, Benzene, 1,4-dibromo-2-methyl-5-nitro-, SCHEMBL6036755, CTK0I9034, DTXSID80623892, KS-00000T3Z, MFCD11846023, ZINC36532866, AKOS025296221, DS-8700, FCH1328575, CS-0061233,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.867g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.93g/mol
Monoisotopic Mass	292.869g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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