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Compound
[2-[Di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene
HCID
19088431
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)OP(=O)(COC(CI)COCc1ccccc1)OC(C)C
InChIKey
FNXNBPYOSRMUIG-UHFFFAOYSA-N
Molecular formula
C17H28IO5P
Average molar mass
470.3 g/mol
Monoisotopic mass
470.07191
Names & identifiers
Preferred name
[2-[Di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene
IUPAC
[2-[di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene
Database identifiers
PubChem CID
19088431
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
24
Formal charge
0
Complexity
358
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
201353
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
941224
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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