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19279-25-5 | 1,3,2,4-Dioxathiazole, 5-phenyl-, 2-oxide
CAS No: 19279-25-5 Catalog No: AG002GB5 MDL No:
Product Description
Catalog Number:
AG002GB5
Chemical Name:
1,3,2,4-Dioxathiazole, 5-phenyl-, 2-oxide
CAS Number:
19279-25-5
Molecular Formula:
C7H5NO3S
Molecular Weight:
183.1845
IUPAC Name:
5-phenyl-1,3,2,4-dioxathiazole 2-oxide
InChI:
InChI=1S/C7H5NO3S/c9-12-10-7(8-11-12)6-4-2-1-3-5-6/h1-5H
InChI Key:
ASMGFRUXEQOYBH-UHFFFAOYSA-N
SMILES:
O=S1ON=C(O1)c1ccccc1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.181g/mol
Monoisotopic Mass:
182.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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