1-Acetyl-4-chloro-2-methyl-1h-indol-3-yl acetate
Basic information
- CAS
5446-21-9- Standard SMILES
CC(=O)Oc1c(C)n(C(C)=O)c2cccc(Cl)c12- InChIKey
YQKYLGIDCDFUAR-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0505709
Names & identifiers
- Preferred name
- 1-Acetyl-4-chloro-2-methyl-1h-indol-3-yl acetate
- IUPAC
- (1-acetyl-4-chloro-2-methylindol-3-yl) acetate
Names & synonyms
1-acetyl-4-chloro-2-methyl-1h-indol-3-yl acetate5446-21-9NSC17190DTXSID00280502Ethanone,1-[3-(acetyloxy)-4-chloro-2-methyl-1H-indol-1-yl]-NSC-17190DS-000373
Database identifiers
- CAS
5446-21-9- PubChem CID
- 226580
- DTXSID
DTXSID00280502
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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