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Home > Fluorides > 114532-95-5
114532-95-5 | Methanesulfonamide, 1,1,1-trifluoro-N-[(3-nitrophenyl)methyl]-
CAS No: 114532-95-5 Catalog No: AG000ENV MDL No:
Product Description
Catalog Number:
AG000ENV
Chemical Name:
Methanesulfonamide, 1,1,1-trifluoro-N-[(3-nitrophenyl)methyl]-
CAS Number:
114532-95-5
Molecular Formula:
C8H7F3N2O4S
Molecular Weight:
284.2124
IUPAC Name:
1,1,1-trifluoro-N-[(3-nitrophenyl)methyl]methanesulfonamide
InChI:
InChI=1S/C8H7F3N2O4S/c9-8(10,11)18(16,17)12-5-6-2-1-3-7(4-6)13(14)15/h1-4,12H,5H2
InChI Key:
RTSAERBKPAZZDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CNS(=O)(=O)C(F)(F)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.209g/mol
Monoisotopic Mass:
284.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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