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39633-51-7 | Pentadecyl isocyanate
CAS No: 39633-51-7 Catalog No: AG003TKV MDL No:
Product Description
Catalog Number:
AG003TKV
Chemical Name:
Pentadecyl isocyanate
CAS Number:
39633-51-7
IUPAC Name:
1-isocyanatopentadecane
InChI:
InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h2-15H2,1H3
InChI Key:
HULTVDSPXGVYBQ-UHFFFAOYSA-N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.241g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.43g/mol
Monoisotopic Mass:
253.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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