Methyl 4-bromo-2-fluorobenzoate

• CAS: 179232-29-2
• Catalog Number: ACM179232292
• Category: Main Products
• Molecular Weight: 0
• Molecular Formula: C₈H₆BrFO₂
• Synonyms: Methyl 4-bromo-2-fluorobenzoate;4-BROMO-2-FLUOROBENZOIC ACID METHYL ESTER;Fluoro-4-bromobenzoate
• IUPAC Name: methyl4-bromo-2-fluorobenzoate
• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)Br)F
• InChI Key: DLILIUSWDLJMCE-UHFFFAOYSA-N
• Boiling Point: 272.7±25.0°C (760 Torr)
• Melting Point: 58-60°C
• Flash Point: 118.7±23.2°C
• Density: 1.577±0.06 g/cm³ (20 ºC 760 Torr)
• Exact Mass: 231.95400

Custom Q&A

What is the molecular formula of Methyl 4-bromo-2-fluorobenzoate?

The molecular formula is C8H6BrFO2.

What are the synonyms for Methyl 4-bromo-2-fluorobenzoate?

The synonyms include METHYL 4-BROMO-2-FLUOROBENZOATE, Methyl 4-bromo-2-fluoro-benzoate, 4-Bromo-2-fluoro-benzoic acid methyl ester, and more.

What is the CAS number of Methyl 4-bromo-2-fluorobenzoate?

The CAS number is 179232-29-2.

What is the IUPAC name of Methyl 4-bromo-2-fluorobenzoate?

The IUPAC name is methyl 4-bromo-2-fluorobenzoate.

What is the InChI of Methyl 4-bromo-2-fluorobenzoate?

The InChI is InChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3.

What is the molecular weight of Methyl 4-bromo-2-fluorobenzoate?

The molecular weight is 233.03 g/mol.

How many hydrogen bond donor counts are there in Methyl 4-bromo-2-fluorobenzoate?

There are 0 hydrogen bond donor counts.

How many rotatable bond counts are there in Methyl 4-bromo-2-fluorobenzoate?

There are 2 rotatable bond counts.

What is the topological polar surface area of Methyl 4-bromo-2-fluorobenzoate?

The topological polar surface area is 26.3 Ų.

Is Methyl 4-bromo-2-fluorobenzoate a canonicalized compound?

Yes, Methyl 4-bromo-2-fluorobenzoate is canonicalized.