4-Chloro-2-fluorocinnamic acid,predominantly trans

• CAS: 312693-55-3
• Catalog Number: ACM312693553
• Category: Alkenyl Fluorinated Building Blocks
• Molecular Weight: 200.59
• Molecular Formula: C₉H₇FO
• Synonyms: 3-(4-Chloro-2-fluorophenyl)acrylic acid, 4-Chloro-2-fluorocinnamic acid, 202982-65-8, SBB003542, (2E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid, 312693-55-3, 4-Chloro-2-fluorocinnamicacid, PubChem3431, 3-(4-chloro-2-fluorophenyl)prop-2-enoic acid, AC1NZT72, SureCN1233597, 529079_ALDRICH, RARECHEM BK HW 0062, TIMTEC-BB SBB003542, MolPort-000-166-294, ACT02258, JRD-1727, trans-4-Chloro-2-fluorocinnamic acid, AKOS015850132, AS02745
• IUPAC Name: (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid
• SMILES: C1=CC(=C(C=C1Cl)F)C=CC(=O)O
• InChI Key: FVLPOWWRHAOKMT-DUXPYHPUSA-N
• Boiling Point: 316.4ºC at 760mmHg
• Melting Point: 213-216ºC(lit.)
• Flash Point: 145.1ºC
• Density: 1.42g/cm³
• EC Number: 606-508-4
• Exact Mass: 200.00400
• Hazard Statements: H301-H314-H410
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

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

The molecular formula is C9H6ClFO2.

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

The molecular weight is 200.59 g/mol.

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

The IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid.

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

The InChI is InChI=1S/C9H6ClFO2/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-Chloro-2-fluorocinnamic acid?

The InChIKey is FVLPOWWRHAOKMT-DUXPYHPUSA-N.

What is the canonical SMILES of 4-Chloro-2-fluorocinnamic acid?

The canonical SMILES is C1=CC(=C(C=C1Cl)F)C=CC(=O)O.

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

The XLogP3-AA value is 2.6.

How many hydrogen bond donor counts does 4-Chloro-2-fluorocinnamic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Chloro-2-fluorocinnamic acid?

The topological polar surface area is 37.3 ?2.