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1325235-13-9 | N-(4-Trifluoromethyl-benzylidene)-benzenesulfonamide
CAS No: 1325235-13-9 Catalog No: AG01F2NG MDL No:
Product Description
Catalog Number:
AG01F2NG
Chemical Name:
N-(4-Trifluoromethyl-benzylidene)-benzenesulfonamide
CAS Number:
1325235-13-9
Molecular Formula:
C14H10F3NO2S
Molecular Weight:
313.2949
IUPAC Name:
(NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
InChI:
InChI=1S/C14H10F3NO2S/c15-14(16,17)12-8-6-11(7-9-12)10-18-21(19,20)13-4-2-1-3-5-13/h1-10H/b18-10+
InChI Key:
AGOLUPJVUZPQOE-VCHYOVAHSA-N
SMILES:
FC(c1ccc(cc1)/C=N/S(=O)(=O)c1ccccc1)(F)F
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
313.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.294g/mol
Monoisotopic Mass:
313.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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