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71730-53-5 | 1,2,3-Benzoxathiazine, 3,4-dihydro-, 2,2-dioxide
CAS No: 71730-53-5 Catalog No: AG0063BK MDL No:
Product Description
Catalog Number:
AG0063BK
Chemical Name:
1,2,3-Benzoxathiazine, 3,4-dihydro-, 2,2-dioxide
CAS Number:
71730-53-5
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
IUPAC Name:
3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
InChI:
InChI=1S/C7H7NO3S/c9-12(10)8-5-6-3-1-2-4-7(6)11-12/h1-4,8H,5H2
InChI Key:
SCUCWOBOJKTZCJ-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCc2c(O1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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