2H-Benzotriazole-4-carbonyl chloride

Base Information

• Chemical Name: 2H-Benzotriazole-4-carbonyl chloride
• CAS No.: 342617-11-2
• Molecular Formula: C7H4ClN3O
• Molecular Weight: 181.57916
• DSSTox Substance ID: DTXSID10497447
• Mol file: 342617-11-2.mol

Synonyms:342617-11-2;2H-Benzotriazole-4-carbonyl chloride;SCHEMBL1761105;DTXSID10497447;1H-Benzotriazole-4-carbonyl chloride(9ci);1H-Benzo[d][1,2,3]triazole-4-carbonyl chloride

Chemical Property of 2H-Benzotriazole-4-carbonyl chloride

Chemical Property:

• PSA: 58.64000
• LogP: 1.33690
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.0042895
• Heavy Atom Count: 12
• Complexity: 199

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NNN=C2C(=C1)C(=O)Cl