1-Acetyl-6-chloro-2-methyl-1h-indol-3-yl acetate
Basic information
- CAS
5446-24-2- Standard SMILES
CC(=O)Oc1c(C)n(C(C)=O)c2cc(Cl)ccc12- InChIKey
AMJQQQTXFVFJHB-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0505709
Names & identifiers
- Preferred name
- 1-Acetyl-6-chloro-2-methyl-1h-indol-3-yl acetate
- IUPAC
- (1-acetyl-6-chloro-2-methylindol-3-yl) acetate
- English name
- (1-acetyl-6-chloro-2-methyl-indol-3-yl) acetate
- Molecular formula
- C13H12ClNO3
- Molecular weight
- 265.69
Names & synonyms
1-acetyl-6-chloro-2-methyl-1h-indol-3-yl acetate5446-24-2NSC17193DTXSID20280504Ethanone,1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]-NSC-17193DS-010903(1-acetyl-6-chloro-2-methyl-indol-3-yl) acetateEthanone, 1-[3-(acetyloxy)-6-chloro-2-methyl-1H-indol-1-yl]-
Database identifiers
- CAS
5446-24-2- PubChem CID
- 226583
- DTXSID
DTXSID20280504- Nikkaji
- J2.740.985G
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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Related reactions
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Compound notes
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