Ethyl 4-bromo-2-(trifluoromethoxy)benzoate

• CAS: 933785-18-3
• Catalog Number: ACM933785183
• Category: Bromine Series
• Molecular Weight: 299.04
• Molecular Formula: C9H6BrF3O3
• Synonyms: Benzoic acid, 4-bromo-2-(trifluoromethoxy)-, methyl ester
• IUPAC Name: ethyl 4-bromo-2-(trifluoromethoxy)benzoate
• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F
• InChI: InChI=1S/C10H8BrF3O3/c1-2-16-9(15)7-4-3-6(11)5-8(7)17-10(12,13)14/h3-5H,2H2,1H3
• InChI Key: QDAATKCEXCYIPG-UHFFFAOYSA-N
• Boiling Point: 266 ºC
• Density: 1.626 g/ml

Custom Q&A

What is the molecular formula of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The molecular formula is C10H8BrF3O3.

When was Ethyl 4-bromo-2-(trifluoromethoxy)benzoate created?

It was created on April 16, 2010.

What is the IUPAC name of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The IUPAC name is ethyl 4-bromo-2-(trifluoromethoxy)benzoate.

What is the InChI of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The InChI is InChI=1S/C10H8BrF3O3/c1-2-16-9(15)7-4-3-6(11)5-8(7)17-10(12,13)14/h3-5H,2H2,1H3.

What is the InChIKey of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The InChIKey is QDAATKCEXCYIPG-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The canonical SMILES is CCOC(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F.

What is the CAS number of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The CAS number is 933785-18-3.

What is the molecular weight of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate?

The molecular weight is 313.07 g/mol.

How many hydrogen bond donor counts does Ethyl 4-bromo-2-(trifluoromethoxy)benzoate have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does Ethyl 4-bromo-2-(trifluoromethoxy)benzoate have?

It has 4 rotatable bond counts.