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Home > Thiazole > 1418634-07-7
1418634-07-7 | 1,2,3-benzoxathiazine, 7-methoxy-, 2,2-dioxide
CAS No: 1418634-07-7 Catalog No: AG01DTSU MDL No:
Product Description
Catalog Number:
AG01DTSU
Chemical Name:
1,2,3-benzoxathiazine, 7-methoxy-, 2,2-dioxide
CAS Number:
1418634-07-7
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
IUPAC Name:
7-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
InChI:
InChI=1S/C8H7NO4S/c1-12-7-3-2-6-5-9-14(10,11)13-8(6)4-7/h2-5H,1H3
InChI Key:
LMEZIMAYKBNSHJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OS(=O)(=O)N=C2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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