Home Other Building Blocks Hexadecyl isocyanate

Hexadecyl isocyanate

CAS No.:
1943-84-6
Catalog Number:
AG003QVS
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003QVS
Chemical Name:
Hexadecyl isocyanate
CAS Number:
1943-84-6
MDL Number:
MFCD00037048
IUPAC Name:
1-isocyanatohexadecane
InChI:
InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
InChI Key:
GFLXBRUGMACJLQ-UHFFFAOYSA-N
EC Number:
217-736-5
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.256g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.457g/mol
Monoisotopic Mass:
267.256g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7  
Literature
Title Journal
Theory analysis of mass spectra of long-chain isocyanates. Rapid communications in mass spectrometry : RCM 20080701
Properties