1,2,4-Benzotriazine-3-carboxylic acid

Base Information

• Chemical Name: 1,2,4-Benzotriazine-3-carboxylic acid
• CAS No.: 64241-51-6
• Molecular Formula: C8H5N3O2
• Molecular Weight: 175.147
• European Community (EC) Number: 873-446-4
• DSSTox Substance ID: DTXSID30494599
• Mol file: 64241-51-6.mol

Synonyms:1,2,4-Benzotriazine-3-carboxylic acid;64241-51-6;benzo[e][1,2,4]triazine-3-carboxylic acid;DTXSID30494599;TQP0592;AKOS006309791;NS-01438;benzo[e][1,2,4]triazine-3-carboxylicacid;CS-0454504;EN300-190089;Z1198311707

Chemical Property of 1,2,4-Benzotriazine-3-carboxylic acid

Chemical Property:

• PSA: 75.97000
• LogP: 0.72300
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 175.038176411
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

1,2,4-benzotriazine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(N=N2)C(=O)O