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89422-62-8 | Heptane, 1-iodo-2-isocyanato-
CAS No: 89422-62-8 Catalog No: AG00462P MDL No:
Product Description
Catalog Number:
AG00462P
Chemical Name:
Heptane, 1-iodo-2-isocyanato-
CAS Number:
89422-62-8
Molecular Formula:
C8H14INO
Molecular Weight:
267.1073
IUPAC Name:
1-iodo-2-isocyanatoheptane
InChI:
InChI=1S/C8H14INO/c1-2-3-4-5-8(6-9)10-7-11/h8H,2-6H2,1H3
InChI Key:
BYVDXGXRGCNJKI-UHFFFAOYSA-N
SMILES:
CCCCCC(N=C=O)CI
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.11g/mol
Monoisotopic Mass:
267.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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