3,4,5-Trifluorobenzaldehyde

• Catalog Number: ACM132123547
• Product Name: 3,4,5-Trifluorobenzaldehyde
• CAS: 132123-54-7
• Category: Aryl Fluorinated Building Blocks
• Synonyms: Benzaldehyde, 3,4,5-trifluoro-
• IUPAC Name: 3,4,5-trifluorobenzaldehyde
• Molecular Weight: 160.09
• Molecular Formula: C7H3F3O
• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C=O
• InChI: InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
• InChI Key: NLAVHUUABUFSIG-UHFFFAOYSA-N
• Boiling Point: 174 ºC (lit.)
• Melting Point: 25.3 ºC
• Density: 1.42 g/ml
• Hazard Statements: H314
• RIDADR: UN 1989C 3 / PGIII
• Symbol: GHS05

Custom Q&A

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

The molecular formula of 3,4,5-Trifluorobenzaldehyde is C7H3F3O.

When was 3,4,5-Trifluorobenzaldehyde created?

3,4,5-Trifluorobenzaldehyde was created on July 19, 2005.

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

The molecular weight of 3,4,5-Trifluorobenzaldehyde is 160.09 g/mol.

How many hydrogen bond acceptor counts does 3,4,5-Trifluorobenzaldehyde have?

3,4,5-Trifluorobenzaldehyde has 4 hydrogen bond acceptor counts.

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

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

What is the InChIKey of 3,4,5-Trifluorobenzaldehyde?

The InChIKey of 3,4,5-Trifluorobenzaldehyde is NLAVHUUABUFSIG-UHFFFAOYSA-N.

How many rotatable bond counts does 3,4,5-Trifluorobenzaldehyde have?

3,4,5-Trifluorobenzaldehyde has 1 rotatable bond count.

What is the XLogP3 value of 3,4,5-Trifluorobenzaldehyde?

The XLogP3 value of 3,4,5-Trifluorobenzaldehyde is 1.8.

Does 3,4,5-Trifluorobenzaldehyde have any defined atom stereocenter count?

No, 3,4,5-Trifluorobenzaldehyde does not have any defined atom stereocenter count.

Is 3,4,5-Trifluorobenzaldehyde canonicalized?

Yes, 3,4,5-Trifluorobenzaldehyde is canonicalized.