AG00IIE8

946125-65-1 | 1-(Bromomethyl)-2-Fluoro-3-Nitrobenzene

AG00IIE8

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CAS Number	946125-65-1
Catalog Number	AG00IIE8(AGN-PC-0WCN10)
Chemical Name	1-(Bromomethyl)-2-Fluoro-3-Nitrobenzene
IUPAC Name	1-(bromomethyl)-2-fluoro-3-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2
InChI Key	MIESICVJNXXYKC-UHFFFAOYSA-N
MDL Number	MFCD11110170
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	O=[N+](C1=C(F)C(CBr)=CC=C1)[O-]
Synonyms	1-(bromomethyl)-2-fluoro-3-nitrobenzene, 946125-65-1, 2-fluoro-3-nitrobenzyl bromide, PubChem21774, SCHEMBL250079, DTXSID00731100, MIESICVJNXXYKC-UHFFFAOYSA-N, MFCD11110170, ZINC75629445, 1-bromomethyl-2-fluoro-3-nitrobenzene, AS05976, CM13417, LS10678, 1-Bromo methyl-2-fluoro-3-nitrobenzene, AK186980, BC004668, DS-10096, CS-0085250, (1S,4r)-4-(((S)-5-((3,5-Bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)cyclohexanec, 1186486-62-3,

Complexity	173
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	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number