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294651-51-7 | Propanamide, 3,3,3-trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)-
CAS No: 294651-51-7 Catalog No: AG002YG5 MDL No:
Product Description
Catalog Number:
AG002YG5
Chemical Name:
Propanamide, 3,3,3-trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)-
CAS Number:
294651-51-7
Molecular Formula:
C10H6F6N2O3
Molecular Weight:
316.1567
IUPAC Name:
3,3,3-trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamide
InChI:
InChI=1S/C10H6F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-1-3-6(4-2-5)18(20)21/h1-4,7H,(H,17,19)
InChI Key:
VBVHTKCOELSAED-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.159g/mol
Monoisotopic Mass:
316.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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