3-(5-Chloro-1,3-benzoxazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-4-carbonitrile
[CAS# 97477-81-1]

Identification

• Name: 3-(5-Chloro-1,3-benzoxazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-4-carbonitrile
• Synonyms: 3-(5-Chloro-2-benzoxazolyl)-4-cyano-7-hydroxycoumarin; 3-(5-Chloro-2-benzoxazolyl)-4-cyanoumbelliferone; 3-(5-Chloro-benzooxazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-4-carbonitrile
• Molecular Formula: C₁₇H₇ClN₂O₄
• Molecular Weight: 338.70
• CAS Registry Number: 97477-81-1
• SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2C#N)C3=NC4=C(O3)C=CC(=C4)Cl
• InChI: 1S/C17H7ClN2O4/c18-8-1-4-13-12(5-8)20-16(23-13)15-11(7-19)10-3-2-9(21)6-14(10)24-17(15)22/h1-6,21H
• InChIKey: MEQPFAHGQRHYMD-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 578.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 303.6±32.9°C (Cal.)