Basic information
- CAS
57329-97-2- Standard SMILES
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2n1C(C)C(=O)O- InChIKey
MAOXMLVXRLEXEV-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2NO3
- Average molar mass
- 376.2 g/mol
- Monoisotopic mass
- 375.0428987
Names & identifiers
- Preferred name
- Indole-1-acetic acid, 3-(p-chlorobenzoyl)-6-chloro-alpha,2-dimethyl-
- IUPAC
- 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]propanoic acid
- English name
- 3-(p-Chlorobenzoyl)-6-chloro-α,2-dimethyl-1H-indole-1-acetic acid
- Molecular formula
- C19H15Cl2NO3
- Molecular weight
- 376.23
Names & synonyms
RU 457157329-97-2BRN 15534203-(p-Chlorobenzoyl)-6-chloro-alpha,2-dimethyl-1-indoleacetic acidINDOLE-1-ACETIC ACID, 3-(p-CHLOROBENZOYL)-6-CHLORO-alpha,2-DIMETHYL-RefChem:349290DTXSID809728372-[6-Chloro-3-(4-chlorobenzoyl)-2-methyl-1H-indol-1-yl]propanoic acidRU-45713-(p-Chlorobenzoyl)-6-chloro-α,2-dimethyl-1H-indole-1-acetic acid1H-Indole-1-acetic acid, 6-chloro-3-(4-chlorobenzoyl)-α,2-dimethyl-
Database identifiers
- CAS
57329-97-2- PubChem CID
- 42271
- DTXSID
DTXSID80972837- Nikkaji
- J64.776D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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