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89422-61-7 | Hexane, 1-iodo-2-isocyanato-
CAS No: 89422-61-7 Catalog No: AG0044SO MDL No:
Product Description
Catalog Number:
AG0044SO
Chemical Name:
Hexane, 1-iodo-2-isocyanato-
CAS Number:
89422-61-7
Molecular Formula:
C7H12INO
Molecular Weight:
253.0807
IUPAC Name:
1-iodo-2-isocyanatohexane
InChI:
InChI=1S/C7H12INO/c1-2-3-4-7(5-8)9-6-10/h7H,2-5H2,1H3
InChI Key:
XGOVWCRGRCHWOC-UHFFFAOYSA-N
SMILES:
CCCCC(N=C=O)CI
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.083g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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