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Chemical structure of Triclocarban-d4

GC76098

Triclocarban-d4

Also known as 1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-3-(3,4-dichlorophenyl)urea

Triclocarban-d4 is the deuterium labeled Triclocarban

ChemicalCAS1219799-29-7MW319.61FormulaC13H5D4Cl3N2O
CAS number
1219799-29-7
Molecular weight
319.61
Formula
C13H5D4Cl3N2O
Solubility
DMSO： 100 mg/mL (312·88 mM; Need ultrasonic)
InChIKey
ICUTUKXCWQYESQ-RHQRLBAQSA-N
Catalogue number
GC76098
Brand
GLPBIO
Computed properties PubChem CID 162642047 · XLogP 5.3 · TPSA 41.1 Ų · H-bond donors 2
XLogP
5.3
TPSA
41.1 Ų
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19

SMILES [2H]C1=C(C(=C(C(=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)[2H])[2H])Cl)[2H]

Computed descriptors from PubChem (CID 162642047), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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