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102308-74-7 | 2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-ethyl-, 1,1-dioxide
CAS No: 102308-74-7 Catalog No: AG000764 MDL No:
Product Description
Catalog Number:
AG000764
Chemical Name:
2H-1,2,4-Benzothiadiazin-3(4H)-one, 4-ethyl-, 1,1-dioxide
CAS Number:
102308-74-7
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
IUPAC Name:
4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
InChI:
InChI=1S/C9H10N2O3S/c1-2-11-7-5-3-4-6-8(7)15(13,14)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
InChI Key:
XOJIAIHJDLBFMP-UHFFFAOYSA-N
SMILES:
CCN1C(=O)NS(=O)(=O)c2c1cccc2
NSC Number:
373852
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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