AG00212C

175610-68-1 | Benzene, 1-bromo-2-fluoro-3-methyl-5-nitro-

AG00212C

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CAS Number	175610-68-1
Catalog Number	AG00212C(AGN-PC-0NBKGU)
Chemical Name	Benzene, 1-bromo-2-fluoro-3-methyl-5-nitro-
IUPAC Name	1-bromo-2-fluoro-3-methyl-5-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3
InChI Key	XDCQFNXIWGZLMX-UHFFFAOYSA-N
MDL Number	MFCD11616079
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	O=[N+](C1=CC(C)=C(F)C(Br)=C1)[O-]
Synonyms	1-Bromo-2-fluoro-3-methyl-5-nitrobenzene, 175610-68-1, 2-fluoro-3-bromo-5-nitrotoluene, 3-Bromo-2-fluoro-5-nitrotoluene, MFCD11616079, ZINC34521793, DS-8640, FCH1405520, KS-00000S51, AJ-89084, AK146753, SC-44484, AX8284287, Benzene, 1-bromo-2-fluoro-3-methyl-5-nitro-, CID10847274, 1-bromo-2-fluoro-3-methyl-5-nitro-benzene,

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	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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