AG002H87

18873-95-5 | Benzene, 5-bromo-1,2-dimethyl-3-nitro-

AG002H87

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CAS Number	18873-95-5
Catalog Number	AG002H87(AGN-PC-0NIU9C)
Chemical Name	Benzene, 5-bromo-1,2-dimethyl-3-nitro-
IUPAC Name	5-bromo-1,2-dimethyl-3-nitrobenzene
InChI	InChI=1S/C8H8BrNO2/c1-5-3-7(9)4-8(6(5)2)10(11)12/h3-4H,1-2H3
InChI Key	HPXSPJGSFHLODM-UHFFFAOYSA-N
MDL Number	MFCD08690122
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	BrC1=CC(=C(C(=C1)[N+](=O)[O-])C)C
Synonyms	5-bromo-1,2-dimethyl-3-nitrobenzene, 18873-95-5, 5-Bromo-3-Nitro-Orthoxylene, 5-Bromo-2,3-dimethylnitrobenzene, Benzene, 5-bromo-1,2-dimethyl-3-nitro-, ABLOCK AB-13-1181, AK-39897, PubChem14259, SCHEMBL13280627, CTK4D9893, DTXSID10495488, HPXSPJGSFHLODM-UHFFFAOYSA-N, ACT08546, KS-00000ZM9, ANW-50097, MFCD08690122, ZINC14985662, 1-Bromo-3,4-dimethyl-5-nitrobenzene, AKOS015834376, AS05647, CM12083, CS-W022296, FCH1389517, GS-4177, LS10176, QC-9840, methyl 5-bromo-2-methyl-3-nitrobenzene, Benzene,5-bromo-1,2-dimethyl-3-nitro-, 5-bromanyl-1,2-dimethyl-3-nitro-benzene, AJ-66382, BC003834, BR-39897, CJ-14848, SC-94372, AB0023077, AX8102906, DB-065654, TR-008742, 4CH-006580, FT-0719463, ST24032905, W4068, S-3905, A813261, I02-2606, C8H8BrNO2,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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