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107737-87-1 | 2-Chlorophenylsulfonylethanol
CAS No: 107737-87-1 Catalog No: AG01FF4E MDL No:MFCD03789149
Product Description
Catalog Number:
AG01FF4E
Chemical Name:
2-Chlorophenylsulfonylethanol
CAS Number:
107737-87-1
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
MDL Number:
MFCD03789149
IUPAC Name:
2-(2-chlorophenyl)sulfonylethanol
InChI:
InChI=1S/C8H9ClO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChI Key:
GHCQZKZPJLCBAI-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccccc1Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.667g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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