Basic information
- Standard SMILES
COC(=O)c1c[nH]c2cc(Cl)c(Br)cc12- InChIKey
PLMOQYXKIYBPBH-UHFFFAOYSA-N- Molecular formula
- C10H7BrClNO2
- Average molar mass
- 288.52 g/mol
Names & identifiers
- Preferred name
- methyl 5-bromo-6-chloro-1H-indole-3-carboxylate
- IUPAC
- methyl 5-bromo-6-chloro-1H-indole-3-carboxylate
Names & synonyms
methyl 5-bromo-6-chloro-1H-indole-3-carboxylate1467059-91-1MFCD279877531H-Indole-3-carboxylic acid, 5-bromo-6-chloro-, methyl estermethyl5-bromo-6-chloro-1H-indole-3-carboxylateSCHEMBL15300951TQP0808PLMOQYXKIYBPBH-UHFFFAOYSA-NAKOS027252142SB15082AS-43007DA-32349
Show more names
SY099483CS-0048994F472724Methyl 5-bromo-6-chloro-1H-indole-3-carboxylate, 97%5-bromo-6-chloro-1H-indole-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86698569
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
13 records
Compound notes
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