3-Chloropropanoyl isocyanate

Base Information

• Chemical Name: 3-Chloropropanoyl isocyanate
• CAS No.: 54898-89-4
• Molecular Formula: C₄H₄ClNO₂
• Molecular Weight: 133.534
• DSSTox Substance ID: DTXSID10544122

Synonyms:3-Chloropropanoyl isocyanate;54898-89-4;3-chloropropionyl isocyanate;beta-chloropropionylisocyanate;betachloropropionyl isocyanate;beta-chloropropionyl isocyanate;SCHEMBL9343230;DTXSID10544122;FXDWBFSKZZSAHO-UHFFFAOYSA-N;AKOS006386529

Chemical Property of 3-Chloropropanoyl isocyanate

Chemical Property:

• PSA: 46.50000
• LogP: 0.47770
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 132.9930561
• Heavy Atom Count: 8
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)C(=O)N=C=O

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