2-[(2H-Tetrazol-5-yl)carbamoyl]phenyl acetate

Base Information

• Chemical Name: 2-[(2H-Tetrazol-5-yl)carbamoyl]phenyl acetate
• CAS No.: 663191-75-1
• Molecular Formula: C10H9N5O3
• Molecular Weight: 247.21016
• DSSTox Substance ID: DTXSID30360927
• Wikidata: Q82142958
• Mol file: 663191-75-1.mol

Synonyms:663191-75-1;2-[(2H-Tetrazol-5-yl)carbamoyl]phenyl acetate;DTXSID30360927;2-(1H-Tetrazol-5-ylcarbamoyl)phenyl acetate

Chemical Property of 2-[(2H-Tetrazol-5-yl)carbamoyl]phenyl acetate

Chemical Property:

• PKA: 3.44±0.10(Predicted)
• PSA: 113.35000
• Density: 1.508±0.06 g/cm3(Predicted)
• LogP: 0.76130
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 247.07053917
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)NC2=NNN=N2