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Home > Pyridines > 165249-92-3
165249-92-3 | 3-Pyridinecarbonyl chloride, 2-(phenylthio)-
CAS No: 165249-92-3 Catalog No: AG001W0Y MDL No:MFCD00067834
Product Description
Catalog Number:
AG001W0Y
Chemical Name:
3-Pyridinecarbonyl chloride, 2-(phenylthio)-
CAS Number:
165249-92-3
Molecular Formula:
C12H8ClNOS
Molecular Weight:
249.7160
MDL Number:
MFCD00067834
IUPAC Name:
2-phenylsulfanylpyridine-3-carbonyl chloride
InChI:
InChI=1S/C12H8ClNOS/c13-11(15)10-7-4-8-14-12(10)16-9-5-2-1-3-6-9/h1-8H
InChI Key:
GDETZLUVMQQRPN-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccnc1Sc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.712g/mol
Monoisotopic Mass:
249.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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