4-Bromo-2-fluorocinnamic acid

• Catalog Number: ACM149947193
• Product Name: 4-Bromo-2-fluorocinnamic acid
• CAS: 149947-19-3
• Category: Bromine Series
• IUPAC Name: (E)-3-(4-Bromo-2-fluorophenyl)prop-2-enoic acid
• Molecular Weight: 245.04
• Canonical SMILES: C1=CC(=C(C=C1Br)F)C=CC(=O)O
• InChI: InChI=1S/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
• InChI Key: SVJGKQYKYNDYMU-DUXPYHPUSA-N
• Boiling Point: 337.5±27.0 °C
• Melting Point: 219-223 °C
• Density: 1.6228 g/cm³ at 25 °C(lit.)
• Exact Mass: 243.95352
• Isomeric SMILES: C1=CC(=C(C=C1Br)F)/C=C/C(=O)O
• Monoisotopic Mass: 243.95352
• Refractive Index: n20/D 1.424(lit.)
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the molecular formula of 4-Bromo-2-fluorocinnamic acid?

The molecular formula of 4-Bromo-2-fluorocinnamic acid is C9H6BrFO2.

What is the molecular weight of 4-Bromo-2-fluorocinnamic acid?

The molecular weight of 4-Bromo-2-fluorocinnamic acid is 245.04 g/mol.

What is the IUPAC name of 4-Bromo-2-fluorocinnamic acid?

The IUPAC name of 4-Bromo-2-fluorocinnamic acid is (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoic acid.

What is the InChI of 4-Bromo-2-fluorocinnamic acid?

The InChI of 4-Bromo-2-fluorocinnamic acid is InChI=1S/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+.

What is the InChIKey of 4-Bromo-2-fluorocinnamic acid?

The InChIKey of 4-Bromo-2-fluorocinnamic acid is SVJGKQYKYNDYMU-DUXPYHPUSA-N.

What is the Canonical SMILES of 4-Bromo-2-fluorocinnamic acid?

The Canonical SMILES of 4-Bromo-2-fluorocinnamic acid is C1=CC(=C(C=C1Br)F)C=CC(=O)O.

What is the Isomeric SMILES of 4-Bromo-2-fluorocinnamic acid?

The Isomeric SMILES of 4-Bromo-2-fluorocinnamic acid is C1=CC(=C(C=C1Br)F)/C=C/C(=O)O.

What is the XLogP3-AA value of 4-Bromo-2-fluorocinnamic acid?

The XLogP3-AA value of 4-Bromo-2-fluorocinnamic acid is 2.7.

How many hydrogen bond donor counts are there in 4-Bromo-2-fluorocinnamic acid?

There is 1 hydrogen bond donor count in 4-Bromo-2-fluorocinnamic acid.

How many hydrogen bond acceptor counts are there in 4-Bromo-2-fluorocinnamic acid?

There are 3 hydrogen bond acceptor counts in 4-Bromo-2-fluorocinnamic acid.