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89422-63-9 | Octane, 1-iodo-2-isocyanato-
CAS No: 89422-63-9 Catalog No: AG0088QT MDL No:
Product Description
Catalog Number:
AG0088QT
Chemical Name:
Octane, 1-iodo-2-isocyanato-
CAS Number:
89422-63-9
Molecular Formula:
C9H16INO
Molecular Weight:
281.1339
IUPAC Name:
1-iodo-2-isocyanatooctane
InChI:
InChI=1S/C9H16INO/c1-2-3-4-5-6-9(7-10)11-8-12/h9H,2-7H2,1H3
InChI Key:
TZZGRCHEHCTGQT-UHFFFAOYSA-N
SMILES:
CCCCCCC(N=C=O)CI
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.137g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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