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14098-31-8 | 1,2,3-Benzoxathiazine, 6-chloro-4-phenyl-, 2,2-dioxide
CAS No: 14098-31-8 Catalog No: AG001FP4 MDL No:
Product Description
Catalog Number:
AG001FP4
Chemical Name:
1,2,3-Benzoxathiazine, 6-chloro-4-phenyl-, 2,2-dioxide
CAS Number:
14098-31-8
Molecular Formula:
C13H8ClNO3S
Molecular Weight:
293.7255
IUPAC Name:
6-chloro-4-phenyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
InChI:
InChI=1S/C13H8ClNO3S/c14-10-6-7-12-11(8-10)13(15-19(16,17)18-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
HJWZIOMNDBIRFI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NS(=O)(=O)O2)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.721g/mol
Monoisotopic Mass:
292.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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