3,4-Difluorohydrocinnamic acid

• CAS: 161712-75-0
• Catalog Number: ACM161712750
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 186.15
• Molecular Formula: C₉H₈FNO₃
• Synonyms: Benzenepropanoicacid,3,4-difluoro
• IUPAC Name: 3-(3,4-Difluorophenyl)propanoic acid
• Canonical SMILES: C1=CC(=C(C=C1CCC(=O)O)F)F
• InChI: InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
• InChI Key: UOZIYCHJMUNLIG-UHFFFAOYSA-N
• Boiling Point: 278 °C
• Melting Point: 49-53 °C
• Flash Point: 122 °C
• Density: 1.312 g/cm³ at 25 °C(lit.)
• Exact Mass: 186.04923582
• Hazard Statements: H302
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Monoisotopic Mass: 186.04923582
• RIDADR: UN 2811 6.1 / PGIII
• Safety Description: 26-36
• Storage Conditions: Dry place,Room Temperature
• Symbol: GHS07
• Topological Polar Surface Area: 37.3 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3,4-Difluorohydrocinnamic acid?

The molecular formula of 3,4-Difluorohydrocinnamic acid is C9H8F2O2.

What is the molecular weight of 3,4-Difluorohydrocinnamic acid?

The molecular weight of 3,4-Difluorohydrocinnamic acid is 186.15 g/mol.

When was 3,4-Difluorohydrocinnamic acid created?

3,4-Difluorohydrocinnamic acid was created on July 19, 2005.

What is the InChIKey of 3,4-Difluorohydrocinnamic acid?

The InChIKey of 3,4-Difluorohydrocinnamic acid is UOZIYCHJMUNLIG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3,4-Difluorohydrocinnamic acid have?

3,4-Difluorohydrocinnamic acid has 1 hydrogen bond donor count.

What is the topological polar surface area of 3,4-Difluorohydrocinnamic acid?

The topological polar surface area of 3,4-Difluorohydrocinnamic acid is 37.3 ?2.

Is 3,4-Difluorohydrocinnamic acid considered a canonical compound?

Yes, 3,4-Difluorohydrocinnamic acid is considered a canonical compound.

How many rotatable bond counts does 3,4-Difluorohydrocinnamic acid have?

3,4-Difluorohydrocinnamic acid has 3 rotatable bond counts.

What is the exact mass of 3,4-Difluorohydrocinnamic acid?

The exact mass of 3,4-Difluorohydrocinnamic acid is 186.04923582 g/mol.

How many defined atom stereocenter counts does 3,4-Difluorohydrocinnamic acid have?

3,4-Difluorohydrocinnamic acid has 0 defined atom stereocenter counts.