AG00DJRQ

454-15-9 | 2-Bromomethyl-1-fluoro-4-nitrobenzene

AG00DJRQ

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CAS Number	454-15-9
Catalog Number	AG00DJRQ(AGN-PC-0N327R)
Chemical Name	2-Bromomethyl-1-fluoro-4-nitrobenzene
IUPAC Name	2-(bromomethyl)-1-fluoro-4-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2
InChI Key	KQAKOKGCKNKARC-UHFFFAOYSA-N
MDL Number	MFCD07787098
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	O=[N+](C1=CC=C(F)C(CBr)=C1)[O-]
Synonyms	454-15-9, 2-(bromomethyl)-1-fluoro-4-nitrobenzene, 2-Fluoro-5-nitrobenzyl bromide, 2-BROMOMETHYL-1-FLUORO-4-NITROBENZENE, 2-FLUORO-5-NITROBENZYLBROMIDE, 2-BROMOMETHYL-1-FLUORO-4-NITRO-BENZENE, Benzene,2-(bromomethyl)-1-fluoro-4-nitro-, SCHEMBL830636, CTK4I8789, DTXSID30438594, KQAKOKGCKNKARC-UHFFFAOYSA-N, 6253AB, MFCD07787098, ZINC38589833, AKOS014097317, FS-4280, MB05086, 1-Fluoro-2-(bromomethyl)-4-nitrobenzene, 3-BROMOMETHYL-4-FLUORONITROBENZENE, AJ-96754, SC-45643, DB-070645, TX-011743, FT-0725718, 2-(bromomethyl)-1-fluoranyl-4-nitro-benzene, Benzene, 2-(bromomethyl)-1-fluoro-4-nitro-, Z-5206, A826792, C7H5BrFNO2, CID10353967, 2-(bromomethyl)-1-fluoro-4-nitro-benzene,

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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

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