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Pifexole
[CAS# 27199-40-2]

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Identification
Name Pifexole
Synonyms Mls000757048; Ncistruc2_000798; Ncistruc1_000917
Molecular Structure CAS#: 27199-40-2, Pifexole
Molecular Formula C13H8ClN3O
Molecular Weight 257.68
CAS Registry Number 27199-40-2
SMILES C1=CC=CC(=C1C2=NC(=NO2)C3=CC=NC=C3)Cl
InChI 1S/C13H8ClN3O/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H
InChIKey YXVGPSQAIBDQJD-UHFFFAOYSA-N
Properties
Density 1.325g/cm3 (Cal.)
Boiling point 445.027°C at 760 mmHg (Cal.)
Flash point 222.945°C (Cal.)
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