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Home > Fluorides > 164348-31-6
164348-31-6 | 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-
CAS No: 164348-31-6 Catalog No: AG001UTJ MDL No:
Product Description
Catalog Number:
AG001UTJ
Chemical Name:
3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-
CAS Number:
164348-31-6
Molecular Formula:
C10H6F3NO2S
Molecular Weight:
261.2203
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C10H6F3NO2S/c11-10(12,13)16-8-3-1-7(2-4-8)14-9(15)5-6-17-14/h1-6H
InChI Key:
GJLXTOWDCAVEOA-UHFFFAOYSA-N
SMILES:
O=c1ccsn1c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.218g/mol
Monoisotopic Mass:
261.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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