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16133-25-8 | 3-Pyridinesulfonyl chloride
CAS No: 16133-25-8 Catalog No: AG001SDF MDL No:MFCD03452747
Product Description
Catalog Number:
AG001SDF
Chemical Name:
3-Pyridinesulfonyl chloride
CAS Number:
16133-25-8
Molecular Formula:
C5H4ClNO2S
Molecular Weight:
177.6088
MDL Number:
MFCD03452747
IUPAC Name:
pyridine-3-sulfonyl chloride
InChI:
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChI Key:
CDRNYKLYADJTMN-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccnc1
EC Number:
688-270-1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.602g/mol
Monoisotopic Mass:
176.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| In vitro cytochrome P450 activity: development and validation of a sensitive high performance liquid chromatography-tandem mass spectrometry method for the quantification of six probe metabolites after derivatization with pyridine-3-sulfonyl chloride in an aqueous environment. | Journal of chromatography. A 20110211 |
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