2-Oxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile

Base Information

• Chemical Name: 2-Oxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile
• CAS No.: 201531-21-7
• Molecular Formula: C8H4N2O2
• Molecular Weight: 160.132
• European Community (EC) Number: 850-202-5
• ChEMBL ID: CHEMBL319485
• Mol file: 201531-21-7.mol

Synonyms:201531-21-7;2-oxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile;2-Oxo-2,3-dihydro-benzooxazole-5-carbonitrile;2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile;2-OXO-3H-1,3-BENZOXAZOLE-5-CARBONITRILE;CHEMBL319485;5-Benzoxazolecarbonitrile, 2,3-dihydro-2-oxo-;SCHEMBL1423023;HGIWVOWYATXMHJ-UHFFFAOYSA-N;BIA53121;BDBM50290817;MFCD11845136;AKOS022794309;SB35165;2-oxo-3H-1, 3-benzoxazole-5-carbonitrile;2,3-dihydro-2-oxo-5-benzoxazolecarbonitrile;CS-0216069;FT-0719546;2-oxo-2,3-dihydrobenzooxazole-5-carbonitrile;EN300-331720;A920547;Z1255399985

Chemical Property of 2-Oxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile

Chemical Property:

• PKA: 8.27±0.70(Predicted)
• PSA: 69.79000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 0.99278
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.027277375
• Heavy Atom Count: 12
• Complexity: 255

Purity/Quality:

95% ^*data from raw suppliers

2-Oxo-2,3-dihydro-benzooxazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C#N)NC(=O)O2