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251115-21-6 | Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)-
CAS No: 251115-21-6 Catalog No: AG002QIZ MDL No:MFCD11226284
Product Description
Catalog Number:
AG002QIZ
Chemical Name:
Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)-
CAS Number:
251115-21-6
Molecular Formula:
C7H3BrF3NO2
Molecular Weight:
270.0034
MDL Number:
MFCD11226284
IUPAC Name:
4-bromo-2-nitro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3BrF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H
InChI Key:
WPDWGHAFCXNYDI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])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:
3.3
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