Basic information
- CAS
65287-75-4- Standard SMILES
CC(=O)c1c(Cl)n(C)c2ccccc12- InChIKey
LLZZEZGLIGDVLB-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.0450916
Names & identifiers
- Preferred name
- 3-Acetyl-2-chloro-1-methylindole
- IUPAC
- 1-(2-chloro-1-methylindol-3-yl)ethanone
Names & synonyms
3-acetyl-2-chloro-1-methylindole65287-75-4DTXSID40356194RefChem:276178DTXCID503072531-(2-chloro-1-methyl-1H-indol-3-yl)ethanone1-(2-chloro-1-methylindol-3-yl)ethanone1-(2-chloro-1-methyl-1H-indol-3-yl)ethan-1-oneSCHEMBL4106684LLZZEZGLIGDVLB-UHFFFAOYSA-NSBB093934AO-638/40907198
Database identifiers
- CAS
65287-75-4- PubChem CID
- 820344
- DTXSID
DTXSID40356194
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
7 records
Compound notes
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