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1060817-63-1 | 4-(5-ISOXAZOLYL)-2-THIOPHENESULFONYL CHLORIDE
CAS No: 1060817-63-1 Catalog No: AG0084EE MDL No:MFCD11054004
Product Description
Catalog Number:
AG0084EE
Chemical Name:
4-(5-ISOXAZOLYL)-2-THIOPHENESULFONYL CHLORIDE
CAS Number:
1060817-63-1
Molecular Formula:
C7H4ClNO3S2
Molecular Weight:
249.6946
MDL Number:
MFCD11054004
IUPAC Name:
4-(1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-3-5(4-13-7)6-1-2-9-12-6/h1-4H
InChI Key:
BJBJAMREHYSGCC-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1scc(c1)c1ccno1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.683g/mol
Monoisotopic Mass:
248.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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