trans-2,5-Difluorocinnamic acid

• CAS: 112898-33-6
• Catalog Number: ACM112898336
• Category: Alkenyl Fluorinated Building Blocks
• Molecular Weight: 184.14
• Molecular Formula: C₉H₆BrFO₂
• Synonyms: (2E)-3-(2,5-Difluorophenyl)-2-propenoic acid
• IUPAC Name: (E)-3-(2,5-Difluorophenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=C(C=C1F)C=CC(=O)O)F
• InChI: InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
• InChI Key: XAWHCSKPALFWBI-DAFODLJHSA-N
• Boiling Point: 278.5±25.0 °C
• Melting Point: 138-140 °C
• Density: 1.3056 g/mL at 25 °C(lit.)
• Exact Mass: 184.03358575
• Hazard Statements: H315-H319-H335
• Isomeric SMILES: C1=CC(=C(C=C1F)/C=C/C(=O)O)F
• Monoisotopic Mass: 184.03358575
• RIDADR: NONH for all modes of transport
• Symbol: GHS07
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the molecular formula of trans-2,5-Difluorocinnamic acid?

The molecular formula of trans-2,5-Difluorocinnamic acid is C9H6F2O2.

What is the molecular weight of trans-2,5-Difluorocinnamic acid?

The molecular weight of trans-2,5-Difluorocinnamic acid is 184.14 g/mol.

What is the IUPAC name of trans-2,5-Difluorocinnamic acid?

The IUPAC name of trans-2,5-Difluorocinnamic acid is (E)-3-(2,5-difluorophenyl)prop-2-enoic acid.

What are some synonyms for trans-2,5-Difluorocinnamic acid?

Some synonyms for trans-2,5-Difluorocinnamic acid include 2,5-Difluorocinnamic acid, (E)-3-(2,5-Difluorophenyl)acrylic acid, and 3-(2,5-Difluorophenyl)acrylic acid.

What is the Canonical SMILES representation of trans-2,5-Difluorocinnamic acid?

The Canonical SMILES representation of trans-2,5-Difluorocinnamic acid is C1=CC(=C(C=C1F)C=CC(=O)O)F.

What is the InChIKey for trans-2,5-Difluorocinnamic acid?

The InChIKey for trans-2,5-Difluorocinnamic acid is XAWHCSKPALFWBI-DAFODLJHSA-N.

How many hydrogen bond donor counts does trans-2,5-Difluorocinnamic acid have?

Trans-2,5-Difluorocinnamic acid has 1 hydrogen bond donor count.

What is the XLogP3-AA value for trans-2,5-Difluorocinnamic acid?

The XLogP3-AA value for trans-2,5-Difluorocinnamic acid is 2.1.

Is trans-2,5-Difluorocinnamic acid a canonicalized compound?

Yes, trans-2,5-Difluorocinnamic acid is a canonicalized compound.

What is the European Community (EC) Number for trans-2,5-Difluorocinnamic acid?

The European Community (EC) Number for trans-2,5-Difluorocinnamic acid is 628-615-5.