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132839-58-8 | Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-
CAS No: 132839-58-8 Catalog No: AG001196 MDL No:MFCD09998160
Product Description
Catalog Number:
AG001196
Chemical Name:
Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-
CAS Number:
132839-58-8
Molecular Formula:
C7H3BrF3NO2
Molecular Weight:
270.0034
MDL Number:
MFCD09998160
IUPAC Name:
2-bromo-1-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3BrF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key:
DJOLBPUSSIOMKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Br)C(F)(F)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.005g/mol
Monoisotopic Mass:
268.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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