AG003JSN

95668-20-5 | 3-Nitro-4-(Trifluoromethoxy)Bromobenzene

AG003JSN

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CAS Number	95668-20-5
Catalog Number	AG003JSN(AGN-PC-0KKZIQ)
Chemical Name	3-Nitro-4-(Trifluoromethoxy)Bromobenzene
IUPAC Name	4-bromo-2-nitro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
InChI Key	OIGUXYDXDJIDCY-UHFFFAOYSA-N
MDL Number	MFCD04039243
Molecular Formula	C7H3BrF3NO3
Molecular Weight	286.0028
SMILES	[O-][N+](=O)C1=C(OC(F)(F)F)C=CC(Br)=C1
Synonyms	95668-20-5, 3-Nitro-4-(trifluoromethoxy)bromobenzene, 4-Bromo-2-nitro(trifluoromethoxy)benzene, 5-Bromo-2-(trifluoromethoxy)nitrobenzene, 4-bromo-2-nitro-1-(trifluoromethoxy)benzene, 5-bromo-2-trifluoromethoxynitrobenzene, AK-36977, Benzene, 4-bromo-2-nitro-1-(trifluoromethoxy)-, 1-BROMO-3-NITRO-4-(TRIFLUOROMETHOXY) BENZENE, PubChem4447, ACMC-209rzp, AC1MCVE3, KSC496A0H, SCHEMBL2311099, CTK3J6003, DTXSID50381417, OIGUXYDXDJIDCY-UHFFFAOYSA-N, ACT12709, ZINC2525758, ZX-AP004632, ANW-40547, DT2151, MFCD04039243, PC1557, SBB064723, 2-nitro-4-bromotrifluoromethoxybenzene, AKOS015890144, AN-1552, AS00087, CB-2745, RP29938, TRA0094723, AC-26071, AJ-37518, BC002774, BC675886, CJ-08856, PS-10464, SC-07439, SY020763, AX8088477, RT-002814, 4CH-002946, CS-0040122, FT-0655343, ST24043406, X8416, 2-TRIFLUOROMETHOXY-5-BROMONITROBENZENE, A20770, B-3864, MFCD04039243 (97+%), 1-bromo-3-nitro-4-(trifluoromethoxy)benzene, 95%, I01-5541, J-514682, 5-Bromo-2-(trifluoromethoxy)-nitrobenzene; 3-Nitro-4-(trifluoromethoxy)bromobenzene, C7H3BrF3NO3, ACN-050534, CID2779370, 5-bromo-2-(trifluoromethoxy)-nitrobenzene, 4-Bromo-2-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	3.6

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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