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3-Chloroisoquinoline 2-Oxide
[CAS# 46038-05-5]

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Identification
Name 3-Chloroisoquinoline 2-Oxide
Synonyms 3-Chloroisoquinoline 2-Oxide
Molecular Structure CAS#: 46038-05-5, 3-Chloroisoquinoline 2-Oxide
Molecular Formula C9H6ClNO
Molecular Weight 179.61
CAS Registry Number 46038-05-5
SMILES C1=C(Cl)[N+](=CC2=CC=CC=C12)[O-]
InChI 1S/C9H6ClNO/c10-9-5-7-3-1-2-4-8(7)6-11(9)12/h1-6H
InChIKey IAZNEBKJQPVSHO-UHFFFAOYSA-N
Properties
Density 1.304g/cm3 (Cal.)
Boiling point 420.47°C at 760 mmHg (Cal.)
Flash point 208.093°C (Cal.)
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