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158579-82-9 | Benzenamine, 5-nitro-2-(trifluoromethoxy)-
CAS No: 158579-82-9 Catalog No: AG001QAZ MDL No:MFCD06248592
Product Description
Catalog Number:
AG001QAZ
Chemical Name:
Benzenamine, 5-nitro-2-(trifluoromethoxy)-
CAS Number:
158579-82-9
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
MDL Number:
MFCD06248592
IUPAC Name:
5-nitro-2-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(12(13)14)3-5(6)11/h1-3H,11H2
InChI Key:
QMEGHVYHZCJNOH-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1OC(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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