Home Carboxys 1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid

1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid

CAS No.:
154106-40-8
Catalog Number:
AG01A90N
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
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Product Description
Catalog Number:
AG01A90N
Chemical Name:
1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid
CAS Number:
154106-40-8
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
MDL Number:
MFCD00924809
IUPAC Name:
1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4,7,9-10H,(H,11,12)
InChI Key:
KHMJUYHKYXZJFI-UHFFFAOYSA-N
SMILES:
OC(=O)C1Nc2ccccc2S(=O)(=O)N1
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.222g/mol
Monoisotopic Mass:
228.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties