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Home > Pyridines > 1596004-31-7
1596004-31-7 | 2-(2-oxo-1,2-dihydropyridin-1-yl)ethane-1-sulfonyl chloride
CAS No: 1596004-31-7 Catalog No: AG01B3PB MDL No:
Product Description
Catalog Number:
AG01B3PB
Chemical Name:
2-(2-oxo-1,2-dihydropyridin-1-yl)ethane-1-sulfonyl chloride
CAS Number:
1596004-31-7
Molecular Formula:
C7H8ClNO3S
Molecular Weight:
221.6613
IUPAC Name:
2-(2-oxopyridin-1-yl)ethanesulfonyl chloride
InChI:
InChI=1S/C7H8ClNO3S/c8-13(11,12)6-5-9-4-2-1-3-7(9)10/h1-4H,5-6H2
InChI Key:
COBBKZXJBVSLFB-UHFFFAOYSA-N
SMILES:
O=c1ccccn1CCS(=O)(=O)Cl
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.655g/mol
Monoisotopic Mass:
220.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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