Ethyl(3-bromo-5-fluorobenzoyl)acetate

• CAS: 1020058-44-9
• Catalog Number: ACM1020058449
• Category: Amines
• Molecular Weight: 289.10
• Molecular Formula: C₁₁H₁₁N₃S
• Hazard Statements: H302
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The molecular formula of Ethyl (3-bromo-5-fluorobenzoyl) acetate is C11H10BrFO3.

What is the molecular weight of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The molecular weight of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 289.10 g/mol.

What is the IUPAC name of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The IUPAC name of Ethyl (3-bromo-5-fluorobenzoyl) acetate is ethyl 3-(3-bromo-5-fluorophenyl)-3-oxopropanoate.

What is the InChI of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The InChI of Ethyl (3-bromo-5-fluorobenzoyl) acetate is InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3.

What is the InChIKey of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The InChIKey of Ethyl (3-bromo-5-fluorobenzoyl) acetate is MDZMKRYNAOMODM-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The canonical SMILES of Ethyl (3-bromo-5-fluorobenzoyl) acetate is CCOC(=O)CC(=O)C1=CC(=CC(=C1)Br)F.

What is the XLogP3 value of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The XLogP3 value of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 2.7.

What is the hydrogen bond donor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The hydrogen bond donor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 0.

What is the hydrogen bond acceptor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The hydrogen bond acceptor count of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 4.

What is the topological polar surface area of Ethyl (3-bromo-5-fluorobenzoyl) acetate?

The topological polar surface area of Ethyl (3-bromo-5-fluorobenzoyl) acetate is 43.4Ų.