Bufrolin

• CAS: 54867-56-0
• Catalog Number: ACM54867560
• Category: Main Products
• Molecular Weight: 356.332
• Molecular Formula: C₁₈H₁₆N₂O₆
• Synonyms: Bufrolin
• IUPAC Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
• Canonical SMILES: CCCCC1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)O)C(=O)C=C(N2)C(=O)O
• InChI Key: BQVIONBNDNFCCP-UHFFFAOYSA-N
• Boiling Point: 609.6ºC at 760 mmHg
• Flash Point: 322.5ºC
• Density: 1.478g/cm³
• Exact Mass: 356.10100
• H-Bond Acceptor: 8
• H-Bond Donor: 4

Custom Q&A

What is the molecular formula of Bufrolin?

The molecular formula of Bufrolin is C18H16N2O6.

What are the synonyms of Bufrolin?

The synonyms of Bufrolin include ICI-74917 and 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid.

What is the molecular weight of Bufrolin?

The molecular weight of Bufrolin is 356.3 g/mol.

When was Bufrolin created?

Bufrolin was created on August 8, 2005.

When was Bufrolin last modified?

Bufrolin was last modified on October 21, 2023.

What is the IUPAC name of Bufrolin?

The IUPAC name of Bufrolin is 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid.

What is the InChI key of Bufrolin?

The InChI key of Bufrolin is BQVIONBNDNFCCP-UHFFFAOYSA-N.

What is the canonical SMILES of Bufrolin?

The canonical SMILES of Bufrolin is CCCC[C@H]1C(=O)Nc2cc(C(O)=O)cc(NC(=O)c3c(O)cccc3=O)c2N1C(=O)O.

What is the CAS number of Bufrolin?

The CAS number of Bufrolin is 54867-56-0.

What is the XLogP3-AA value of Bufrolin?

The XLogP3-AA value of Bufrolin is 2.5.