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25171-77-1 | 2-Pyridinol, 3,5-dichloro-, 2-methanesulfonate
CAS No: 25171-77-1 Catalog No: AG002QQX MDL No:
Product Description
Catalog Number:
AG002QQX
Chemical Name:
2-Pyridinol, 3,5-dichloro-, 2-methanesulfonate
CAS Number:
25171-77-1
Molecular Formula:
C6H5Cl2NO3S
Molecular Weight:
242.0798
IUPAC Name:
(3,5-dichloropyridin-2-yl) methanesulfonate
InChI:
InChI=1S/C6H5Cl2NO3S/c1-13(10,11)12-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChI Key:
ONPPFTPDRUQHKC-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)Cl)OS(=O)(=O)C
UNII:
12Q80X9WLO
NSC Number:
110561
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.07g/mol
Monoisotopic Mass:
240.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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