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8-Chlorotheophylline-d6
[CAS# 1346598-95-5]

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Identification
Name 8-Chlorotheophylline-d6
Molecular Structure CAS # 1346598-95-5, 8-Chlorotheophylline-d6
Molecular Formula C7H7ClN4O2
Molecular Weight 220.65
CAS Registry Number 1346598-95-5
SMILES [2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC(=N2)Cl
Properties
Density 1.6±0.1 g/cm3, Calc.*
Index of Refraction 1.631, Calc.*
Boiling Point 455.0±55.0 ºC (760 mmHg), Calc.*
Flash Point 229.0±31.5 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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