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179062-05-6 | Benzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-
CAS No: 179062-05-6 Catalog No: AG0026RG MDL No:MFCD03094267
Product Description
Catalog Number:
AG0026RG
Chemical Name:
Benzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-
CAS Number:
179062-05-6
Molecular Formula:
C7H4F4N2O2
Molecular Weight:
224.1125
MDL Number:
MFCD03094267
IUPAC Name:
4-fluoro-2-nitro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H4F4N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
InChI Key:
WOSGMZUIHAFPSS-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c(cc1C(F)(F)F)N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.115g/mol
Monoisotopic Mass:
224.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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