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1261753-88-1 | Benzenamine, 4-nitro-2-(trifluoromethoxy)-
CAS No: 1261753-88-1 Catalog No: AG000RZW MDL No:MFCD18399915
Product Description
Catalog Number:
AG000RZW
Chemical Name:
Benzenamine, 4-nitro-2-(trifluoromethoxy)-
CAS Number:
1261753-88-1
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
MDL Number:
MFCD18399915
IUPAC Name:
4-nitro-2-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-3-4(12(13)14)1-2-5(6)11/h1-3H,11H2
InChI Key:
FFDBXRVBNGKCDQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1OC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.123g/mol
Monoisotopic Mass:
222.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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