5-Bromo-1H-indole-3-carboxylic acid methyl ester

• CAS: 773873-77-1
• Catalog Number: ACM773873771
• Category: Bromine Series
• Molecular Weight: 254.0827
• Molecular Formula: C10H8BrNO2
• Description: 5-Bromo-1H-indole-3-carboxylic acid methyl ester is a marine derived natural products found in Smenospongia sp.
• Synonyms: 1H-Indole-3-carboxylicacid,5-bromo-,methylester
• IUPAC Name: Methyl 5-bromo-1H-indole-3-carboxylate
• Canonical SMILES: COC(=O)C1=CNC2=C1C=C(C=C2)Br
• InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
• InChI Key: MFOKOKHNSVUKON-UHFFFAOYSA-N
• Boiling Point: 386.2ºC at 760 mmHg
• Flash Point: 187.3ºC
• Density: 1.629g/cm³
• Complexity: 234
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 252.97384
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 14
• MDL Number: MFCD06203728
• Monoisotopic Mass: 252.97384
• Physical State: Powder
• Size: 1g,5g,25g
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 42.1 Ų

Custom Q&A

What is the molecular formula of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The molecular formula is C10H8BrNO2.

What are the synonyms of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The synonyms include Methyl 5-bromo-1H-indole-3-carboxylate, 773873-77-1, and Methyl 5-Bromoindole-3-carboxylate.

What is the molecular weight of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The molecular weight is 254.08 g/mol.

When was 5-Bromo-1H-indole-3-carboxylic acid methyl ester created?

It was created on March 26, 2005.

When was 5-Bromo-1H-indole-3-carboxylic acid methyl ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The IUPAC name is methyl 5-bromo-1H-indole-3-carboxylate.

What is the InChI of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The InChI is InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3.

What is the InChIKey of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The InChIKey is MFOKOKHNSVUKON-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The Canonical SMILES is COC(=O)C1=CNC2=C1C=C(C=C2)Br.

What is the CAS number of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The CAS number is 773873-77-1.