methyl 3-bromo-1H-indole-6-carboxylate
Product Specifications
- CAS
- 860457-92-7
- MF
- C10H8BrNO2
- Appearance
- off-white solid
- Synonym(s)
- Methyl 3-broMo-1H-indole-6-carboxylate; 3-Bromo-1H-indole-6-carboxylic acid methyl ester; 1H-Indole-6-carboxylic acid, 3-bromo-, methyl ester
- Shipping
- ambient temperature
- Storage
- 2-8°C
methyl 3-bromo-1H-indole-6-carboxylate has CAS 860457-92-7 and molecular formula C10H8BrNO2. PubChem maps the CAS to a single entry, CID 53393248, and reports molecular weight 254.08. Its atom connectivity is expressed by SMILES COC(=O)C1=CC2=C(C=C1)C(=CN2)Br. InChIKey YSCNGZSJIYDSOC-UHFFFAOYSA-N supplies a compact identifier for that same neutral structure.
Indole is a fused bicyclic framework formed from a benzene ring and a five-membered nitrogen-containing ring. The name assigns bromine to indole position 3 and a carboxylate ester to position 6. “Methyl” describes the ester alkoxy carbon rather than a methyl substituent directly bonded to the ring. The two oxygens belong to the ester group, and the sole nitrogen is the 1H indole nitrogen. Keeping both 3-bromo and 6-carboxylate locants visible distinguishes this graph from brominated indole esters with either group elsewhere.
When sending an inquiry to Rlavie, include the full product name, CAS 860457-92-7, and the requested quantity. Add a MOL or SDF structure file for comparison with PubChem CID 53393248, SMILES COC(=O)C1=CC2=C(C=C1)C(=CN2)Br, and InChIKey YSCNGZSJIYDSOC-UHFFFAOYSA-N. The identity check should confirm the bromine at position 3, the methyl carboxylate at position 6, and the stated 1H indole form before request-specific information is discussed. Formula alone cannot encode those positional details, so the locanted name and submitted graph are essential references.