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Chemical structure of Tris(2-chloroethyl)phosphate-d12

GC74813

Tris(2-chloroethyl)phosphate-d12

Also known as tris(2-chloro-1,1,2,2-tetradeuterioethyl) phosphate

Tris(2-chloroethyl)phosphate-d12 is the deuterium labeled Tris(β-chloroethyl) phosphate

ChemicalCAS1276500-47-0MW297.56FormulaC6D12Cl3O4P
CAS number
1276500-47-0
Molecular weight
297.56
Formula
C6D12Cl3O4P
Solubility
Ethanol： ≥ 100 mg/mL (336·07 mM)
InChIKey
HQUQLFOMPYWACS-LBTWDOQPSA-N
Catalogue number
GC74813
Brand
GLPBIO
Computed properties PubChem CID 71309797 · XLogP 1.3 · TPSA 44.8 Ų · H-bond donors 0
XLogP
1.3
TPSA
44.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
14

SMILES [2H]C([2H])(C([2H])([2H])Cl)OP(=O)(OC([2H])([2H])C([2H])([2H])Cl)OC([2H])([2H])C([2H])([2H])Cl

Computed descriptors from PubChem (CID 71309797), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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