4-Hydroxybenzoyl isocyanate

Base Information

• Chemical Name: 4-Hydroxybenzoyl isocyanate
• CAS No.: 342403-13-8
• Molecular Formula: C8H5 N O3
• Molecular Weight: 163.1302
• DSSTox Substance ID: DTXSID30496972
• Mol file: 342403-13-8.mol

Synonyms:342403-13-8;4-Hydroxybenzoyl isocyanate;DTXSID30496972;Benzoyl isocyanate,4-hydroxy-(9ci)

Chemical Property of 4-Hydroxybenzoyl isocyanate

Chemical Property:

• PSA: 66.73000
• LogP: 0.86820
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N=C=O)O