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89877-27-0 | Cyclohexane, 1-iodo-2-isocyanato-, trans-
CAS No: 89877-27-0 Catalog No: AG006KO6 MDL No:
Product Description
Catalog Number:
AG006KO6
Chemical Name:
Cyclohexane, 1-iodo-2-isocyanato-, trans-
CAS Number:
89877-27-0
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
IUPAC Name:
1-iodo-2-isocyanatocyclohexane
InChI:
InChI=1S/C7H10INO/c8-6-3-1-2-4-7(6)9-5-10/h6-7H,1-4H2
InChI Key:
PFRCZDVHNCSOEX-UHFFFAOYSA-N
SMILES:
O=C=N[C@@H]1CCCC[C@H]1I
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.067g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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