5-Bromothiazole-4-carboxylic acid methyl ester

• CAS: 913836-22-3
• Catalog Number: ACM913836223
• Category: Bromine Series
• Molecular Weight: 222.0616
• Molecular Formula: C₅H₄BrNO₂S
• Synonyms: Methyl 5-bromothiazole-4-carboxylate, 913836-22-3, Methyl5-bromo-4-thiazolecarboxylate, Methyl 5-bromo-4-thiazolecarboxylate, 5-Bromothiazole-4-carboxylic acid methyl ester, METHYL 5-BROMO-1,3-THIAZOLE-4-CARBOXYLATE, SBB066590, AG-H-74992, PubChem8917, ACMC-209rb4, SureCN1450757, CTK5G9472, MolPort-001-768-293, ACT08999, ANW-39662, CL2513, ZINC08698521, AKOS015835082, Methyl 5-bromothiazole-4-carboxylate,, AC-7537
• IUPAC Name: methyl 5-bromo-1,3-thiazole-4-carboxylate
• Canonical SMILES: COC(=O)C1=C(SC=N1)Br
• InChI Key: AUJMFWXVFMHABB-UHFFFAOYSA-N
• Boiling Point: 276ºC at 760 mmHg
• Melting Point: 98-101ºC
• Flash Point: 120.7ºC
• Density: 1.759g/cm³
• Exact Mass: 220.91500
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-Bromothiazole-4-carboxylic acid methyl ester?

The molecular formula is C5H4BrNO2S.

What is the molecular weight of 5-Bromothiazole-4-carboxylic acid methyl ester?

The molecular weight is 222.06 g/mol.

What is the IUPAC name of 5-Bromothiazole-4-carboxylic acid methyl ester?

The IUPAC name is methyl 5-bromo-1,3-thiazole-4-carboxylate.

What is the InChI of 5-Bromothiazole-4-carboxylic acid methyl ester?

The InChI is InChI=1S/C5H4BrNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3.

What is the InChIKey of 5-Bromothiazole-4-carboxylic acid methyl ester?

The InChIKey is AUJMFWXVFMHABB-UHFFFAOYSA-N.

What is the CAS number of 5-Bromothiazole-4-carboxylic acid methyl ester?

The CAS number is 913836-22-3.

What is the European Community (EC) number of 5-Bromothiazole-4-carboxylic acid methyl ester?

The EC number is 690-433-7.

What is the Monoisotopic Mass of 5-Bromothiazole-4-carboxylic acid methyl ester?

The Monoisotopic Mass is 220.91461 g/mol.

What is the Topological Polar Surface Area of 5-Bromothiazole-4-carboxylic acid methyl ester?

The Topological Polar Surface Area is 67.4Ų.

Is 5-Bromothiazole-4-carboxylic acid methyl ester a canonicalized compound?

Yes, 5-Bromothiazole-4-carboxylic acid methyl ester is a canonicalized compound.