1,3-Bis(diethylphosphonooxy)-4-ethylbenzene

HCID 54597261
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Basic information

Standard SMILES
CCOP(=O)(OCC)Oc1ccc(CC)c(OP(=O)(OCC)OCC)c1
InChIKey
BWVVNZIEJGQBBW-UHFFFAOYSA-N
Molecular formula
C16H28O8P2
Average molar mass
410.34 g/mol
Monoisotopic mass
410.12594184

Names & identifiers

Preferred name
1,3-Bis(diethylphosphonooxy)-4-ethylbenzene
IUPAC
(3-diethoxyphosphoryloxy-4-ethylphenyl) diethyl phosphate

Names & synonyms

SCHEMBL14892724BWVVNZIEJGQBBW-UHFFFAOYSA-N1,3-Bis(diethylphosphonooxy)-4-ethylbenzene

Database identifiers

PubChem CID
54597261

Properties

Computed structural properties

XLogP
3
Topological polar surface area
89.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
26

Related reactions

1 records
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Compound notes

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