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823180-04-7 | Benzene, [[(5,5-diiodo-4-pentenyl)oxy]methyl]-
CAS No: 823180-04-7 Catalog No: AG004ZK4 MDL No:
Product Description
Catalog Number:
AG004ZK4
Chemical Name:
Benzene, [[(5,5-diiodo-4-pentenyl)oxy]methyl]-
CAS Number:
823180-04-7
Molecular Formula:
C12H14I2O
Molecular Weight:
428.0479
IUPAC Name:
5,5-diiodopent-4-enoxymethylbenzene
InChI:
InChI=1S/C12H14I2O/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2
InChI Key:
HNOCHEJXYABDFA-UHFFFAOYSA-N
SMILES:
IC(=CCCCOCc1ccccc1)I
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.913g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.052g/mol
Monoisotopic Mass:
427.913g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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