Basic information
- CAS
163083-67-8- Standard SMILES
COC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc12- InChIKey
MCAHXBVJTQFWEO-UHFFFAOYSA-N- Molecular formula
- C17H14BrNO2
- Average molar mass
- 344.2 g/mol
- Monoisotopic mass
- 343.02079
Names & identifiers
- Preferred name
- Methyl 1-Benzyl-5-bromo-1H-indole-3-carboxylate
- IUPAC
- methyl 1-benzyl-5-bromoindole-3-carboxylate
Names & synonyms
Methyl 1-Benzyl-5-bromo-1H-indole-3-carboxylate163083-67-8Methyl 5-bromo-1-(phenylmethyl)-1H-indole-3-carboxylateDTXSID701204460SY355174
Database identifiers
- CAS
163083-67-8- PubChem CID
- 11782876
- DTXSID
DTXSID701204460
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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