1,2-Benzoxazole-3-carboxamide

Base Information

• Chemical Name: 1,2-Benzoxazole-3-carboxamide
• CAS No.: 52046-80-7
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.15
• DSSTox Substance ID: DTXSID60599546
• Wikidata: Q82495442
• Mol file: 52046-80-7.mol

Synonyms:52046-80-7;1,2-Benzoxazole-3-carboxamide;BENZO[D]ISOXAZOLE-3-CARBOXAMIDE;1,2-BENZISOXAZOLE-3-CARBOXAMIDE;1,2-Benzisoxazole-3-carboxamide(9CI);SCHEMBL2907438;DTXSID60599546;DB-259116;D87736

Chemical Property of 1,2-Benzoxazole-3-carboxamide

Chemical Property:

• Boiling Point: 418.8±18.0 °C(Predicted)
• PKA: 14.53±0.30(Predicted)
• PSA: 69.12000
• Density: 1.371±0.06 g/cm3(Predicted)
• LogP: 1.62700
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NO2)C(=O)N