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7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
[CAS# 113251-07-3]

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CAS#: 113251-07-3
Product: 7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
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Identification
Name 7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
Synonyms 3-(7-Amino-4-Chloro-1-Oxo-Isochromen-3-Yl)Oxypropylsulfanylformamidine; [3-[(7-Amino-4-Chloro-1-Oxo-3-Isochromenyl)Oxy]Propylthio]Formamidine; [3-(7-Amino-4-Chloro-1-Keto-Isochromen-3-Yl)Oxypropylthio]Formamidine
Molecular Structure CAS#: 113251-07-3, 7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
Molecular Formula C13H14ClN3O3S
Molecular Weight 327.78
CAS Registry Number 113251-07-3
SMILES C1=C(N)C=CC2=C1C(OC(=C2Cl)OCCCSC(=N)N)=O
InChI 1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-4-1-5-21-13(16)17/h2-3,6H,1,4-5,15H2,(H3,16,17)
InChIKey IYKLQEMQEGWXOQ-UHFFFAOYSA-N
Properties
Density 1.566g/cm3 (Cal.)
Boiling point 588.798°C at 760 mmHg (Cal.)
Flash point 309.894°C (Cal.)
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