AG003GP4

95668-21-6 | 2-Bromo-5-(trifluoromethoxy)nitrobenzene

AG003GP4

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CAS Number	95668-21-6
Catalog Number	AG003GP4(AGN-PC-01USGK)
Chemical Name	2-Bromo-5-(trifluoromethoxy)nitrobenzene
IUPAC Name	1-bromo-2-nitro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3BrF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key	LHWANFWEBHKYCZ-UHFFFAOYSA-N
MDL Number	MFCD13194446
Molecular Formula	C7H3BrF3NO3
Molecular Weight	286.0028
SMILES	[O-][N+](=O)C1=C(Br)C=CC(OC(F)(F)F)=C1
Synonyms	95668-21-6, 1-BROMO-2-NITRO-4-(TRIFLUOROMETHOXY)BENZENE, 2-Bromo-5-(trifluoromethoxy)nitrobenzene, AK-54889, Benzene, 1-bromo-2-nitro-4-(trifluoromethoxy)-, SCHEMBL3257088, CTK8C2803, DTXSID40592994, LHWANFWEBHKYCZ-UHFFFAOYSA-N, KS-00000D9T, ANW-69022, MFCD13194446, ZINC85221817, 3-nitro-4-bromotrifluoromethoxybenzene, AKOS016005710, TRA0023123, 2-nitro-4-trifluoromethoxy-bromobenzene, 2-Nitro-4-(trifluoromethoxy)bromobenzene, AS-19291, CJ-22302, SC-37674, SY020766, 1-Bromo-2-nitro-4-trifluoromethoxybenzene, AB0032986, AJ-127140, AX8216695, TC-157767, 4CH-024189, CS-0040121, ST24037859, X6434, Z-4591, MFCD13194446 (97+%), C7H3BrF3NO3, 4-Bromo-3-nitro(trifluoromethoxy)benzene - 5G 5g,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.925g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.004g/mol
Monoisotopic Mass	284.925g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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