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

CAS
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Purity
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CAS
54023-06-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM54023062

Product Name

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

Structure

Structure

CAS

54023-06-2

Category

Boronic Esters

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

Molecular Weight

217.22

Molecular Formula

C₁₂H₁₁NO₃

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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