4-Bromocinnamic acid

• CAS: 1200-07-3
• Catalog Number: ACM1200073
• Category: Bromine Series
• Molecular Weight: 227.05
• Synonyms: 3-(4-Bromophenyl)-2-propenoicaci
• IUPAC Name: (E)-3-(4-Bromophenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)Br
• InChI: InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
• InChI Key: CPDDDTNAMBSPRN-ZZXKWVIFSA-N
• Boiling Point: 344.9±17.0 °C
• Melting Point: 260-265 °C
• Density: 1.607±0.06 g/cm³
• Exact Mass: 225.96294
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)Br
• Monoisotopic Mass: 225.96294
• Physical State: Crystalline powder
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 37.3 Ų

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (E)-3-(4-bromophenyl)prop-2-enoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C9H7BrO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 227.05 g/mol.

What is the InChI key of the compound?

The InChI key of the compound is CPDDDTNAMBSPRN-ZZXKWVIFSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is C1=CC(=CC=C1C=CC(=O)O)Br.

What is the CAS number of the compound?

The CAS number of the compound is 1200-07-3.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.5.

How many hydrogen bond donor atoms are present in the compound?

There is 1 hydrogen bond donor atom in the compound.

How many hydrogen bond acceptor atoms are present in the compound?

There are 2 hydrogen bond acceptor atoms in the compound.

How many rotatable bonds are present in the compound?

There are 2 rotatable bonds in the compound.