3-Carboxy-6,8-difluoro-7-hydroxycoumarin

Catalog Number

ACM215868330-1

CAS

215868-33-0

Synonyms

NHSPacificBluesuccinimidylester,2,5-Dioxopyrrolidin-1-yl6,8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylate

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate

Molecular Weight

339.2

Molecular Formula

C14H7F2NO7

Canonical SMILES

C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC(=C(C(=C3OC2=O)F)O)F

InChI

InChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2

InChI Key

NZYXABPVYJRICY-UHFFFAOYSA-N

Boiling Point

518.9 ± 60.0 °C

Purity

98%

Density

1.78 ± 0.1 g/ml

Appearance

Yellow powder

Storage

Stored at -20 °C

• Catalog Number: ACM215868330-1
• CAS: 215868-33-0
• Synonyms: NHSPacificBluesuccinimidylester,2,5-Dioxopyrrolidin-1-yl6,8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylate
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate
• Molecular Weight: 339.2
• Molecular Formula: C14H7F2NO7
• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC(=C(C(=C3OC2=O)F)O)F
• InChI: InChI=1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2
• InChI Key: NZYXABPVYJRICY-UHFFFAOYSA-N
• Boiling Point: 518.9 ± 60.0 °C
• Purity: 98%
• Density: 1.78 ± 0.1 g/ml
• Appearance: Yellow powder
• Storage: Stored at -20 °C