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16670-48-7 | Ethanol, 2-chloro-, 1-benzenesulfonate
CAS No: 16670-48-7 Catalog No: AG001WWG MDL No:
Product Description
Catalog Number:
AG001WWG
Chemical Name:
Ethanol, 2-chloro-, 1-benzenesulfonate
CAS Number:
16670-48-7
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
IUPAC Name:
2-chloroethyl benzenesulfonate
InChI:
InChI=1S/C8H9ClO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
CIIGWOXXOUVEAD-UHFFFAOYSA-N
SMILES:
ClCCOS(=O)(=O)c1ccccc1
Properties
Complexity:
226
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:
0
Isotope Atom Count:
0
Molecular Weight:
220.667g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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