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Home > Pyridines > 680618-23-9
680618-23-9 | 3-(pyridine-2-carbonyl)benzene-1-sulfonyl chloride
CAS No: 680618-23-9 Catalog No: AG01B8TI MDL No:MFCD03424985
Product Description
Catalog Number:
AG01B8TI
Chemical Name:
3-(pyridine-2-carbonyl)benzene-1-sulfonyl chloride
CAS Number:
680618-23-9
Molecular Formula:
C12H8ClNO3S
Molecular Weight:
281.7148
MDL Number:
MFCD03424985
IUPAC Name:
3-(pyridine-2-carbonyl)benzenesulfonyl chloride
InChI:
InChI=1S/C12H8ClNO3S/c13-18(16,17)10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChI Key:
VCNQOSREOAWVLH-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)S(=O)(=O)Cl)c1ccccn1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.71g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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