3,4,5-Trifluorocinnamic acid

• Catalog Number: ACM152152197
• Product Name: 3,4,5-Trifluorocinnamic acid
• CAS: 152152-19-7
• Category: Amines
• Synonyms: (E)-3-(3,4,5-Trifluorophenyl)acrylic acid
• IUPAC Name: (E)-3-(3,4,5-Trifluorophenyl)prop-2-enoic acid
• Molecular Weight: 202.13
• Molecular Formula: C₄H₉NO₄S
• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C=CC(=O)O
• InChI: InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+
• InChI Key: PHIWFMZBVZFEQJ-OWOJBTEDSA-N
• Boiling Point: 273.8±35.0 °C
• Melting Point: 195-199 °C
• Density: 1.468±0.06 g/cm³
• Exact Mass: 202.02416388
• Hazard Statements: H319
• Isomeric SMILES: C1=C(C=C(C(=C1F)F)F)/C=C/C(=O)O
• Monoisotopic Mass: 202.02416388
• RIDADR: UN 1993BF 3 / PGII
• Storage Conditions: Inert atmosphere,2-8 °C
• Symbol: GHS07
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the molecular formula of 3,4,5-Trifluorocinnamic acid?

The molecular formula of 3,4,5-Trifluorocinnamic acid is C9H5F3O2.

What is the molecular weight of 3,4,5-Trifluorocinnamic acid?

The molecular weight of 3,4,5-Trifluorocinnamic acid is 202.13 g/mol.

What is the IUPAC name of 3,4,5-Trifluorocinnamic acid?

The IUPAC name of 3,4,5-Trifluorocinnamic acid is (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid.

What is the InChI of 3,4,5-Trifluorocinnamic acid?

The InChI of 3,4,5-Trifluorocinnamic acid is InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+.

What is the InChIKey of 3,4,5-Trifluorocinnamic acid?

The InChIKey of 3,4,5-Trifluorocinnamic acid is PHIWFMZBVZFEQJ-OWOJBTEDSA-N.

What is the canonical SMILES of 3,4,5-Trifluorocinnamic acid?

The canonical SMILES of 3,4,5-Trifluorocinnamic acid is C1=C(C=C(C(=C1F)F)F)C=CC(=O)O.

How many hydrogen bond donor counts are there in 3,4,5-Trifluorocinnamic acid?

There is one hydrogen bond donor count in 3,4,5-Trifluorocinnamic acid.

How many hydrogen bond acceptor counts are there in 3,4,5-Trifluorocinnamic acid?

There are five hydrogen bond acceptor counts in 3,4,5-Trifluorocinnamic acid.

How many rotatable bond counts are there in 3,4,5-Trifluorocinnamic acid?

There are two rotatable bond counts in 3,4,5-Trifluorocinnamic acid.

What is the topological polar surface area of 3,4,5-Trifluorocinnamic acid?

The topological polar surface area of 3,4,5-Trifluorocinnamic acid is 37.3Ų.