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24821-17-8 | Benzenamine, 2-nitro-6-(trifluoromethyl)-
CAS No: 24821-17-8 Catalog No: AG002PJ4 MDL No:MFCD08532494
Product Description
Catalog Number:
AG002PJ4
Chemical Name:
Benzenamine, 2-nitro-6-(trifluoromethyl)-
CAS Number:
24821-17-8
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD08532494
IUPAC Name:
2-nitro-6-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3-5(6(4)11)12(13)14/h1-3H,11H2
InChI Key:
MFLJFFUIURSSKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1N)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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