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101080-64-2 | 3,4-Dichlorophenylsulfonylethanol
CAS No: 101080-64-2 Catalog No: AG01FE9X MDL No:MFCD03789222
Product Description
Catalog Number:
AG01FE9X
Chemical Name:
3,4-Dichlorophenylsulfonylethanol
CAS Number:
101080-64-2
Molecular Formula:
C8H8Cl2O3S
Molecular Weight:
255.1183
MDL Number:
MFCD03789222
IUPAC Name:
2-(3,4-dichlorophenyl)sulfonylethanol
InChI:
InChI=1S/C8H8Cl2O3S/c9-7-2-1-6(5-8(7)10)14(12,13)4-3-11/h1-2,5,11H,3-4H2
InChI Key:
BUGOSLZRRRMSSH-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.109g/mol
Monoisotopic Mass:
253.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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