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71730-46-6 | 1,2,3-Benzoxathiazine, 2,2-dioxide
CAS No: 71730-46-6 Catalog No: AG005QGF MDL No:MFCD25966550
Product Description
Catalog Number:
AG005QGF
Chemical Name:
1,2,3-Benzoxathiazine, 2,2-dioxide
CAS Number:
71730-46-6
Molecular Formula:
C7H5NO3S
Molecular Weight:
183.1845
MDL Number:
MFCD25966550
IUPAC Name:
1,2λ6,3-benzoxathiazine 2,2-dioxide
InChI:
InChI=1S/C7H5NO3S/c9-12(10)8-5-6-3-1-2-4-7(6)11-12/h1-5H
InChI Key:
FURVSEVWPXHUEK-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=Cc2c(O1)cccc2
Properties
Complexity:
290
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.181g/mol
Monoisotopic Mass:
182.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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