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Chemical structure of Triclosan-d3

GC76074

Triclosan-d3

Also known as 5-chloro-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)phenol

Triclosan-d3 is the deuterium labeled Triclosan

ChemicalCAS1020719-98-5MW292.56FormulaC12H4D3Cl3O2
CAS number
1020719-98-5
Molecular weight
292.56
Formula
C12H4D3Cl3O2
Solubility
DMSO: ≥ 100 mg/mL (341·81 mM); H2O: < 0·1 mg/mL (insoluble)
InChIKey
XEFQLINVKFYRCS-UXHGNOADSA-N
Catalogue number
GC76074
Brand
GLPBIO
Computed properties PubChem CID 45040608 · XLogP 5 · TPSA 29.5 Ų · H-bond donors 1
XLogP
5
TPSA
29.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

SMILES [2H]C1=C(C(=C(C(=C1OC2=C(C=C(C=C2)Cl)O)Cl)[2H])Cl)[2H]

Computed descriptors from PubChem (CID 45040608), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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