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229957-08-8 | Benzene, 1-bromo-2-nitro-4,5-bis(trifluoromethyl)-
CAS No: 229957-08-8 Catalog No: AG002LSN MDL No:MFCD00729097
Product Description
Catalog Number:
AG002LSN
Chemical Name:
Benzene, 1-bromo-2-nitro-4,5-bis(trifluoromethyl)-
CAS Number:
229957-08-8
Molecular Formula:
C8H2BrF6NO2
Molecular Weight:
338.0014
MDL Number:
MFCD00729097
IUPAC Name:
1-bromo-2-nitro-4,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2BrF6NO2/c9-5-1-3(7(10,11)12)4(8(13,14)15)2-6(5)16(17)18/h1-2H
InChI Key:
JIJNLAOEXTXBRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(cc1Br)C(F)(F)F)C(F)(F)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.917g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.003g/mol
Monoisotopic Mass:
336.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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