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Home > Thiazole > 1393377-31-5
1393377-31-5 | 1,2,3-benzoxathiazine, 6-methyl-, 2,2-dioxide
CAS No: 1393377-31-5 Catalog No: AG01DTMZ MDL No:
Product Description
Catalog Number:
AG01DTMZ
Chemical Name:
1,2,3-benzoxathiazine, 6-methyl-, 2,2-dioxide
CAS Number:
1393377-31-5
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
IUPAC Name:
6-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
InChI:
InChI=1S/C8H7NO3S/c1-6-2-3-8-7(4-6)5-9-13(10,11)12-8/h2-5H,1H3
InChI Key:
PKVLIZWFWZAIQC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C=NS(=O)(=O)O2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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