Basic information
- Standard SMILES
CCOC(=O)Cc1c(Cl)ccc2c1cc(C=O)n2C(=O)OC- InChIKey
SRVOCSSBKFSPGM-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO5
- Average molar mass
- 323.73 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-4-ethoxycarbonylmethyl-2-formyl-indole-1-carboxylic acid methyl ester
- IUPAC
- methyl 5-chloro-4-(2-ethoxy-2-oxoethyl)-2-formylindole-1-carboxylate
Names & synonyms
SCHEMBL856533SRVOCSSBKFSPGM-UHFFFAOYSA-N5-Chloro-4-ethoxycarbonylmethyl-2-formyl-indole-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86603873
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
Loading…