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160233-27-2 | 2-Thiophenesulfonyl chloride, 5-(3-isoxazolyl)-
CAS No: 160233-27-2 Catalog No: AG001RSL MDL No:
Product Description
Catalog Number:
AG001RSL
Chemical Name:
2-Thiophenesulfonyl chloride, 5-(3-isoxazolyl)-
CAS Number:
160233-27-2
Molecular Formula:
C7H4ClNO3S2
Molecular Weight:
249.6946
IUPAC Name:
5-(1,2-oxazol-3-yl)thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-4-12-9-5/h1-4H
InChI Key:
XDOOPXTYGCQGOE-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc(s1)c1nocc1
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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