5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester

• CAS: 54023-06-2
• Catalog Number: ACM54023062
• Category: Boronic Esters
• Molecular Weight: 217.22
• Molecular Formula: C₁₂H₁₁NO₃
• Synonyms: Methyl 5-(3-aminophenyl)furan-2-carboxylate, 54023-06-2, 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester, SBB014480, ZINC04245261, zlchem 695, AC1OGGOE, SureCN1143419, 648450_ALDRICH, CTK4J9349, ZLD0147, MolPort-002-054-895, ACT05984, STK691792, AKOS005255327, AG-A-80291, MCULE-4548714680, AK-29358, KB-195725, ST4140178
• IUPAC Name: methyl 5-(3-aminophenyl)furan-2-carboxylate
• Canonical SMILES: COC(=O)C1=CC=C(O1)C2=CC(=CC=C2)N
• InChI Key: IZIZPLREWPTKFV-UHFFFAOYSA-N
• Boiling Point: 411.2ºC at 760mmHg
• Melting Point: 102-106ºC(lit.)
• Flash Point: 202.5ºC
• Density: 1.222g/cm³
• Exact Mass: 217.07400
• Hazard Statements: Xn
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H11NO3.

What is the molecular weight of the compound?

The molecular weight is 217.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is methyl 5-(3-aminophenyl)furan-2-carboxylate.

What is the InChIKey of the compound?

The InChIKey is IZIZPLREWPTKFV-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is COC(=O)C1=CC=C(O1)C2=CC(=CC=C2)N.

What is the CAS number of the compound?

The CAS number is 54023-06-2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.