Basic information
- CAS
26405-73-2- Standard SMILES
COc1ccc2c(c1)c(CC(=O)OCC(Cl)(Cl)Cl)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
ISNLEEXPKGZNJI-UHFFFAOYSA-N- Molecular formula
- C21H17Cl4NO4
- Average molar mass
- 489.2 g/mol
- Monoisotopic mass
- 486.991169
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2,2,2-trichloroethyl ester
- IUPAC
- 2,2,2-trichloroethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Names & synonyms
HM 957/cBRN 050190226405-73-21H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2,2,2-trichloroethyl ester1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-indol-3-yl-acetic acid trichloroethyl ester2,2,2-Trichloroethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-acetateRefChem:239018SCHEMBL11832494DTXSID209493012,2,2-Trichloroethyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
Database identifiers
- CAS
26405-73-2- PubChem CID
- 213488
- DTXSID
DTXSID20949301
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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