3-Acetyl-6-bromocoumarin

• Catalog Number: ACM2199931-1
• Product Name: 3-Acetyl-6-bromocoumarin
• CAS: 2199-93-1
• Category: Bromine Series
• Synonyms: 3-Acetyl-6-bromo-2H-chromen-2-one;3-acetyl-6-bromochromen-2-one;3-Acetyl-6-bromo-chromen-2-one
• IUPAC Name: 3-acetyl-6-bromochromen-2-one
• Molecular Weight: 267.08
• Molecular Formula: C11H7BrO3
• Canonical SMILES: CC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O
• InChI: InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
• InChI Key: XFQYOFLFNKCHLG-UHFFFAOYSA-N
• Boiling Point: 441.3 ± 45.0 °C
• Melting Point: 227 °C
• Flash Point: 220.7ºC
• Density: 1.7 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark
• Exact Mass: 265.95800
• Hazard Statements: Xn: Harmful;Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26

Custom Q&A

What is the molecular formula of 3-Acetyl-6-bromocoumarin?

The molecular formula of 3-Acetyl-6-bromocoumarin is C11H7BrO3.

What is the molecular weight of 3-Acetyl-6-bromocoumarin?

The molecular weight of 3-Acetyl-6-bromocoumarin is 267.07 g/mol.

What is the IUPAC name of 3-Acetyl-6-bromocoumarin?

The IUPAC name of 3-Acetyl-6-bromocoumarin is 3-acetyl-6-bromochromen-2-one.

What is the InChI of 3-Acetyl-6-bromocoumarin?

The InChI of 3-Acetyl-6-bromocoumarin is InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3.

What is the InChIKey of 3-Acetyl-6-bromocoumarin?

The InChIKey of 3-Acetyl-6-bromocoumarin is XFQYOFLFNKCHLG-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Acetyl-6-bromocoumarin?

The Canonical SMILES of 3-Acetyl-6-bromocoumarin is CC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O.

What is the CAS number of 3-Acetyl-6-bromocoumarin?

The CAS number of 3-Acetyl-6-bromocoumarin is 2199-93-1.

What is the European Community (EC) number of 3-Acetyl-6-bromocoumarin?

The European Community (EC) number of 3-Acetyl-6-bromocoumarin is 622-612-2.

What is the ChEMBL ID of 3-Acetyl-6-bromocoumarin?

The ChEMBL ID of 3-Acetyl-6-bromocoumarin is CHEMBL591523.