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Chemical structure of Di-o-tolyl-phosphate-d14

GC70860

Di-o-tolyl-phosphate-d14

Also known as bis[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl] hydrogen phosphate

Di-o-tolyl-phosphate-d14 is the deuterium labeled Di-o-tolyl-phosphate

ChemicalCAS2517379-41-6MW292.33FormulaC14HD14O4P
CAS number
2517379-41-6
Molecular weight
292.33
Formula
C14HD14O4P
InChIKey
OHRCKPRYDGSBRN-DDAUHAMOSA-N
Catalogue number
GC70860
Brand
GLPBIO
Computed properties PubChem CID 139025844 · XLogP 3.3 · TPSA 55.8 Ų · H-bond donors 1
XLogP
3.3
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

SMILES [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])OP(=O)(O)OC2=C(C(=C(C(=C2C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 139025844), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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