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88693-61-2 | Benzenesulfenamide, 4-chloro-N-[4-(trifluoromethoxy)phenyl]-
CAS No: 88693-61-2 Catalog No: AG0046MD MDL No:
Product Description
Catalog Number:
AG0046MD
Chemical Name:
Benzenesulfenamide, 4-chloro-N-[4-(trifluoromethoxy)phenyl]-
CAS Number:
88693-61-2
Molecular Formula:
C13H9ClF3NOS
Molecular Weight:
319.7299
IUPAC Name:
N-(4-chlorophenyl)sulfanyl-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C13H9ClF3NOS/c14-9-1-7-12(8-2-9)20-18-10-3-5-11(6-4-10)19-13(15,16)17/h1-8,18H
InChI Key:
DKQHAONLPWYOJM-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)NSc1ccc(cc1)Cl)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.726g/mol
Monoisotopic Mass:
319.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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