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88693-76-9 | Benzenesulfenamide, 2,4-dinitro-N-[4-(trifluoromethyl)phenyl]-
CAS No: 88693-76-9 Catalog No: AG0046T5 MDL No:
Product Description
Catalog Number:
AG0046T5
Chemical Name:
Benzenesulfenamide, 2,4-dinitro-N-[4-(trifluoromethyl)phenyl]-
CAS Number:
88693-76-9
Molecular Formula:
C13H8F3N3O4S
Molecular Weight:
359.2805
IUPAC Name:
N-(2,4-dinitrophenyl)sulfanyl-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H8F3N3O4S/c14-13(15,16)8-1-3-9(4-2-8)17-24-12-6-5-10(18(20)21)7-11(12)19(22)23/h1-7,17H
InChI Key:
KGFZZJJPEFTNLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SNc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.019g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.279g/mol
Monoisotopic Mass:
359.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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