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25171-74-8 | 2-Pyridinol, 5-chloro-, 2-methanesulfonate
CAS No: 25171-74-8 Catalog No: AG002QQY MDL No:
Product Description
Catalog Number:
AG002QQY
Chemical Name:
2-Pyridinol, 5-chloro-, 2-methanesulfonate
CAS Number:
25171-74-8
Molecular Formula:
C6H6ClNO3S
Molecular Weight:
207.6347
IUPAC Name:
(5-chloropyridin-2-yl) methanesulfonate
InChI:
InChI=1S/C6H6ClNO3S/c1-12(9,10)11-6-3-2-5(7)4-8-6/h2-4H,1H3
InChI Key:
HGQKBEJHOTVBBK-UHFFFAOYSA-N
SMILES:
Clc1ccc(nc1)OS(=O)(=O)C
NSC Number:
110563
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.628g/mol
Monoisotopic Mass:
206.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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