Free Chemical Databases
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[Synonyms]
1-Iodobicyclo[2.2.1]heptane
Bicyclo(2.2.1)heptane, 1-iodo-
Bicyclo[2.2.1]heptane, 1-iodo-
InChI=1/C7H11I/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H
930-80-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 222.06671 [g/mol] Molecular Formula C7H11I XLogP 3 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 0 Exact Mass 221.990543 MonoIsotopic Mass 221.990543 Topological Polar Surface Area 0 Heavy Atom Count 8 Formal Charge 0 Complexity 101 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-iodobicyclo[2.2.1]heptane
Canonical SMILES: C1CC2(CCC1C2)I
InChI: InChI=1/C7H11I/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2
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