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89422-65-1 | Decane, 1-iodo-2-isocyanato-
CAS No: 89422-65-1 Catalog No: AG0043P3 MDL No:
Product Description
Catalog Number:
AG0043P3
Chemical Name:
Decane, 1-iodo-2-isocyanato-
CAS Number:
89422-65-1
Molecular Formula:
C11H20INO
Molecular Weight:
309.1871
IUPAC Name:
1-iodo-2-isocyanatodecane
InChI:
InChI=1S/C11H20INO/c1-2-3-4-5-6-7-8-11(9-12)13-10-14/h11H,2-9H2,1H3
InChI Key:
HUQIXZZGJRMTBK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(N=C=O)CI
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.191g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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