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548739-95-3 | 3-Trifluoromethylphenylsulfonylethanol
CAS No: 548739-95-3 Catalog No: AG01EWFE MDL No:MFCD03789217
Product Description
Catalog Number:
AG01EWFE
Chemical Name:
3-Trifluoromethylphenylsulfonylethanol
CAS Number:
548739-95-3
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
MDL Number:
MFCD03789217
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]sulfonylethanol
InChI:
InChI=1S/C9H9F3O3S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6,13H,4-5H2
InChI Key:
KJRBWTNOMDULTR-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.223g/mol
Monoisotopic Mass:
254.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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