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104716-39-4 | 2,5-Methanopentalene, octahydro-3a,6a-diiodo-
CAS No: 104716-39-4 Catalog No: AG0085RL MDL No:
Product Description
Catalog Number:
AG0085RL
Chemical Name:
2,5-Methanopentalene, octahydro-3a,6a-diiodo-
CAS Number:
104716-39-4
Molecular Formula:
C9H12I2
Molecular Weight:
374.0005
IUPAC Name:
3,7-diiodotricyclo[3.3.1.03,7]nonane
InChI:
InChI=1S/C9H12I2/c10-8-2-6-1-7(4-8)5-9(8,11)3-6/h6-7H,1-5H2
InChI Key:
CLTWDWKPJZRJLF-UHFFFAOYSA-N
SMILES:
IC12CC3CC2(I)CC(C1)C3
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.903g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.004g/mol
Monoisotopic Mass:
373.903g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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