Chlorobiocic Acid
[CAS# 114515-20-7]

Identification

• Name: Chlorobiocic Acid
• Synonyms: N-(8-Chloro-2,7-Dihydroxy-4-Oxo-Chromen-3-Yl)-4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzamide; N-(8-Chloro-2,7-Dihydroxy-4-Oxo-3-Chromenyl)-4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzamide; N-(8-Chloro-2,7-Dihydroxy-4-Keto-Chromen-3-Yl)-4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzamide
• Molecular Formula: C₂₁H₁₈ClNO₆
• Molecular Weight: 415.83
• CAS Registry Number: 114515-20-7
• SMILES: C3=C(C(=O)NC1=C(OC2=C(C1=O)C=CC(=C2Cl)O)O)C=CC(=C3CC=C(C)C)O
• InChI: 1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-25,28H,4H2,1-2H3,(H,23,27)
• InChIKey: KNGPTEKCTQCUAR-UHFFFAOYSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 669.23°C at 760 mmHg (Cal.)
• Flash point: 358.538°C (Cal.)