Basic information
- Standard SMILES
COC(=O)c1cc2c(C(C)=O)c[nH]c2cc1Cl- InChIKey
SNUYDYSXYARYAV-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
Names & identifiers
- Preferred name
- methyl 3-acetyl-6-chloro-1H-indole-5-carboxylate
- IUPAC
- methyl 3-acetyl-6-chloro-1H-indole-5-carboxylate
Names & synonyms
SCHEMBL9106007SNUYDYSXYARYAV-UHFFFAOYSA-Nmethyl 3-acetyl-6-chloro-1H-indole-5-carboxylate
Database identifiers
- PubChem CID
- 67774875
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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