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688763-18-0 | 2-Trifluoromethylphenylsulfonylethanol
CAS No: 688763-18-0 Catalog No: AG01EWYY MDL No:MFCD03789229
Product Description
Catalog Number:
AG01EWYY
Chemical Name:
2-Trifluoromethylphenylsulfonylethanol
CAS Number:
688763-18-0
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
MDL Number:
MFCD03789229
IUPAC Name:
2-[2-(trifluoromethyl)phenyl]sulfonylethanol
InChI:
InChI=1S/C9H9F3O3S/c10-9(11,12)7-3-1-2-4-8(7)16(14,15)6-5-13/h1-4,13H,5-6H2
InChI Key:
HXSZHFJMSRANBX-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccccc1C(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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