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1025-75-8 | 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-methyl-, 1,1-dioxide
CAS No: 1025-75-8 Catalog No: AG0007LP MDL No:
Product Description
Catalog Number:
AG0007LP
Chemical Name:
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-methyl-, 1,1-dioxide
CAS Number:
1025-75-8
Molecular Formula:
C8H8ClN3O4S2
Molecular Weight:
309.7498
IUPAC Name:
6-chloro-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C8H8ClN3O4S2/c1-4-11-6-2-5(9)7(17(10,13)14)3-8(6)18(15,16)12-4/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
UYVDLZFIIVODJV-UHFFFAOYSA-N
SMILES:
CC1=Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.964g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.739g/mol
Monoisotopic Mass:
308.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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