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Home Sulfos 4-chloro-2-oxo-2H-chromene-3-sulfonyl chloride

4-chloro-2-oxo-2H-chromene-3-sulfonyl chloride

CAS No.:
18633-79-9
Catalog Number:
AG01B8L9
Molecular Formula:
C9H4Cl2O4S
Molecular Weight:
279.0967
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Product Description
Catalog Number:
AG01B8L9
Chemical Name:
4-chloro-2-oxo-2H-chromene-3-sulfonyl chloride
CAS Number:
18633-79-9
Molecular Formula:
C9H4Cl2O4S
Molecular Weight:
279.0967
MDL Number:
MFCD28954037
IUPAC Name:
4-chloro-2-oxochromene-3-sulfonyl chloride
InChI:
InChI=1S/C9H4Cl2O4S/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)16(11,13)14/h1-4H
InChI Key:
BMBIIPARTPJPLT-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1S(=O)(=O)Cl)Cl
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.921g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.087g/mol
Monoisotopic Mass:
277.921g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
An improved synthesis of 4-chlorocoumarin-3-sulfonyl chloride and its reactions with different bidentate nucleophiles to give pyrido[1',2':2,3]- and thiazino[3',2':2,3]-1,2,4-thiadiazino[6,5-c]benzopyran-6-one 7,7-dioxides. Molecules (Basel, Switzerland) 20070822
Properties