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685892-13-1 | 3-Fluorophenylsulfonylethanol
CAS No: 685892-13-1 Catalog No: AG01EWYE MDL No:MFCD03789132
Product Description
Catalog Number:
AG01EWYE
Chemical Name:
3-Fluorophenylsulfonylethanol
CAS Number:
685892-13-1
Molecular Formula:
C8H9FO3S
Molecular Weight:
204.2187
MDL Number:
MFCD03789132
IUPAC Name:
2-(3-fluorophenyl)sulfonylethanol
InChI:
InChI=1S/C8H9FO3S/c9-7-2-1-3-8(6-7)13(11,12)5-4-10/h1-3,6,10H,4-5H2
InChI Key:
UQBKKBSKWYCLSW-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cccc(c1)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.215g/mol
Monoisotopic Mass:
204.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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