Basic information
- CAS
35475-66-2- Standard SMILES
COc1cccn2c(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c12- InChIKey
BVWKNQGEDUMEON-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO4
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.0767857
Names & identifiers
- Preferred name
- 1-Indolizineacetic acid, 3-(p-chlorobenzoyl)-7-methoxy-2-methyl-
- IUPAC
- 2-[3-(4-chlorobenzoyl)-8-methoxy-2-methylindolizin-1-yl]acetic acid
Names & synonyms
BRN 04471641-INDOLIZINEACETIC ACID, 3-(p-CHLOROBENZOYL)-7-METHOXY-2-METHYL-35475-66-23-(p-Chlorobenzoyl)-7-methoxy-2-methyl-1-indolizineacetic acidDTXSID501889835-22-07-00427 (Beilstein Handbook Reference)RefChem:231004DTXCID10111474[3-(4-Chlorobenzoyl)-8-methoxy-2-methylindolizin-1-yl]acetic acid
Database identifiers
- CAS
35475-66-2- PubChem CID
- 37155
- DTXSID
DTXSID50188983
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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