3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide

Base Information

• Chemical Name: 3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide
• CAS No.: 201224-76-2
• Molecular Formula: C₈H₆N₂O₅S
• Molecular Weight: 242.212
• European Community (EC) Number: 822-773-0
• ChEMBL ID: CHEMBL4442867
• DSSTox Substance ID: DTXSID301347127
• Pharos Ligand ID: 1LHLA5VR2H6F
• Mol file: 201224-76-2.mol

Synonyms:201224-76-2;3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide;CHEMBL4442867;1,1,3-trioxo-3,4-dihydro-2h-1lambda6,2,4-benzothiadiazine-7-carboxylic acid;1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazine-7-carboxylic acid;SCHEMBL25629246;DTXSID301347127;BIA22476;BDBM50519812;AKOS015964075;EN300-1703690;3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylicacid1,1-dioxide;3-oxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-carboxylic acid 1,1-dioxide

Chemical Property of 3-oxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 241.99974247
• Heavy Atom Count: 16
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)S(=O)(=O)NC(=O)N2