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113372-82-0 | Phenol, 4-heptyl-2,6-diiodo-
CAS No: 113372-82-0 Catalog No: AG0078YY MDL No:
Product Description
Catalog Number:
AG0078YY
Chemical Name:
Phenol, 4-heptyl-2,6-diiodo-
CAS Number:
113372-82-0
Molecular Formula:
C13H18I2O
Molecular Weight:
444.0904
IUPAC Name:
4-heptyl-2,6-diiodophenol
InChI:
InChI=1S/C13H18I2O/c1-2-3-4-5-6-7-10-8-11(14)13(16)12(15)9-10/h8-9,16H,2-7H2,1H3
InChI Key:
JPZBZCMSUUIEKI-UHFFFAOYSA-N
SMILES:
CCCCCCCc1cc(I)c(c(c1)I)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.945g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.095g/mol
Monoisotopic Mass:
443.945g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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