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6H-[1,3,5]Trioxepino[6,7-F]Benzimidazole
[CAS# 185840-21-5]

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Identification
Name 6H-[1,3,5]Trioxepino[6,7-F]Benzimidazole
Synonyms 6H-[1,3,5]trioxepino[6',7':4,5]benzo[1,2-d]imidazole; 6H-1,3,5-TRIOXEPINO[6,7-F]BENZIMIDAZOLE(9CI)
Molecular Structure CAS#: 185840-21-5, 6H-[1,3,5]Trioxepino[6,7-F]Benzimidazole
Molecular Formula C9H8N2O3
Molecular Weight 192.17
CAS Registry Number 185840-21-5
SMILES C1C2=C(C=C3C1=NC=N3)OCOCO2
InChI 1S/C9H8N2O3/c1-6-7(11-3-10-6)2-9-8(1)13-4-12-5-14-9/h1,3H,2,4-5H2
InChIKey JGJQARBWMCQMKN-UHFFFAOYSA-N
Properties
Density 1.591g/cm3 (Cal.)
Boiling point 312.889°C at 760 mmHg (Cal.)
Flash point 117.315°C (Cal.)
Refractive index 1.699 (Cal.)
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