3-Bromocinnamaldehyde

• CAS: 97985-66-5
• Catalog Number: ACM97985665
• Category: Other Products
• Molecular Weight: 211.05
• Molecular Formula: C9H7BrO
• Synonyms: Trans-3-Bromocinnamaldehyde
• IUPAC Name: (E)-3-(3-Bromophenyl)prop-2-enal
• Canonical SMILES: C1=CC(=CC(=C1)Br)C=CC=O
• InChI: InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
• InChI Key: QICJGJJHIQBWJR-DUXPYHPUSA-N
• Boiling Point: 309.7±25.0 °C
• Density: 1.466±0.06 g/cm³
• Exact Mass: 209.96803
• Isomeric SMILES: C1=CC(=CC(=C1)Br)/C=C/C=O
• Monoisotopic Mass: 209.96803
• Storage Conditions: Inert atmosphere,under -20 °C
• Topological Polar Surface Area: 17.1 Ų

Custom Q&A

What is the molecular formula of 3-Bromocinnamaldehyde?

The molecular formula of 3-Bromocinnamaldehyde is C9H7BrO.

What are the synonyms of 3-Bromocinnamaldehyde?

The synonyms of 3-Bromocinnamaldehyde include 3-(3-Bromophenyl)acrylaldehyde, (E)-3-(3-Bromophenyl)acrylaldehyde, 97985-66-5, and 15185-59-8.

What is the molecular weight of 3-Bromocinnamaldehyde?

The molecular weight of 3-Bromocinnamaldehyde is 211.05 g/mol.

What is the IUPAC name of 3-Bromocinnamaldehyde?

The IUPAC name of 3-Bromocinnamaldehyde is (E)-3-(3-bromophenyl)prop-2-enal.

What is the InChI of 3-Bromocinnamaldehyde?

The InChI of 3-Bromocinnamaldehyde is InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+.

What is the InChIKey of 3-Bromocinnamaldehyde?

The InChIKey of 3-Bromocinnamaldehyde is QICJGJJHIQBWJR-DUXPYHPUSA-N.

What is the canonical SMILES of 3-Bromocinnamaldehyde?

The canonical SMILES of 3-Bromocinnamaldehyde is C1=CC(=CC(=C1)Br)C=CC=O.

What is the isomeric SMILES of 3-Bromocinnamaldehyde?

The isomeric SMILES of 3-Bromocinnamaldehyde is C1=CC(=CC(=C1)Br)/C=C/C=O.

What is the XLogP3-AA value of 3-Bromocinnamaldehyde?

The XLogP3-AA value of 3-Bromocinnamaldehyde is 2.5.

What is the topological polar surface area of 3-Bromocinnamaldehyde?

The topological polar surface area of 3-Bromocinnamaldehyde is 17.1?2.