4-Chlorobutyl carbonisocyanatidate

Base Information

• Chemical Name: 4-Chlorobutyl carbonisocyanatidate
• CAS No.: 113576-14-0
• Molecular Formula: C6H8ClNO3
• DSSTox Substance ID: DTXSID00552312
• Mol file: 113576-14-0.mol

Synonyms:113576-14-0;4-Chlorobutyl carbonisocyanatidate;SCHEMBL9814036;DTXSID00552312;KDJGERNBWKXLIM-UHFFFAOYSA-N;delta-chlorobutyloxycarbonyl isocyanate

Chemical Property of 4-Chlorobutyl carbonisocyanatidate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 177.0192708
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCl)COC(=O)N=C=O

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