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933740-94-4 | isoxazole-4-sulfonyl chloride
CAS No: 933740-94-4 Catalog No: AG00JIFB MDL No:MFCD09803793
Product Description
Catalog Number:
AG00JIFB
Chemical Name:
isoxazole-4-sulfonyl chloride
CAS Number:
933740-94-4
Molecular Formula:
C3H2ClNO3S
Molecular Weight:
167.5709
MDL Number:
MFCD09803793
IUPAC Name:
1,2-oxazole-4-sulfonyl chloride
InChI:
InChI=1S/C3H2ClNO3S/c4-9(6,7)3-1-5-8-2-3/h1-2H
InChI Key:
QTUGUGPSTFTDBR-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1conc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.944g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.563g/mol
Monoisotopic Mass:
166.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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