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74725-77-2 | Pentacyclo[4.2.0.02,5.03,8.04,7]octane,iodo-
CAS No: 74725-77-2 Catalog No: AG005HXV MDL No:
Product Description
Catalog Number:
AG005HXV
Chemical Name:
Pentacyclo[4.2.0.02,5.03,8.04,7]octane,iodo-
CAS Number:
74725-77-2
Molecular Formula:
C8H7I
Molecular Weight:
230.0457
IUPAC Name:
1-iodocubane
InChI:
InChI=1S/C8H7I/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H
InChI Key:
DEYQFBOPZRDWKH-UHFFFAOYSA-N
SMILES:
IC12C3C4C2C2C1C3C42
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.048g/mol
Monoisotopic Mass:
229.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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