AG002JIS

208165-95-1 | Benzene, 1-bromo-4-fluoro-5-methyl-2-nitro-

AG002JIS

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CAS Number	208165-95-1
Catalog Number	AG002JIS(AGN-PC-040OF6)
Chemical Name	Benzene, 1-bromo-4-fluoro-5-methyl-2-nitro-
IUPAC Name	1-bromo-4-fluoro-5-methyl-2-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,1H3
InChI Key	GQKJGQRSKKRVSO-UHFFFAOYSA-N
MDL Number	MFCD11053879
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	BrC1=C(C=C(C(=C1)C)F)[N+](=O)[O-]
Synonyms	1-BROMO-4-FLUORO-5-METHYL-2-NITROBENZENE, 208165-95-1, 5-Bromo-2-fluoro-4-nitrotoluene, ACMC-209fen, SCHEMBL5175796, CTK4E5209, DTXSID80632560, GQKJGQRSKKRVSO-UHFFFAOYSA-N, ANW-24237, MFCD11053879, ZINC38537142, AKOS015834817, FCH1402203, RTR-009782, ACM208165951, AJ-95918, AS-36918, AX8229696, ST2403382, TR-009782, V4267, B-7798, Benzene, 1-bromo-4-fluoro-5-methyl-2-nitro-, I01-10720, C7H5BrFNO2,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.024g/mol
Monoisotopic Mass	232.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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