Basic information
- CAS
26466-68-2- Standard SMILES
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccccn2c1CC(=O)O- InChIKey
PUHSQOUMNBLEEC-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- 3-Indolizineacetic acid, 1-(p-chlorobenzoyl)-2-methyl-
- IUPAC
- 2-[1-(4-chlorobenzoyl)-2-methylindolizin-3-yl]acetic acid
Names & synonyms
BRN 04935693-INDOLIZINEACETIC ACID, 1-(p-CHLOROBENZOYL)-2-METHYL-1-(p-Chlorobenzoyl)-2-methyl-3-indolizineacetic acidDTXSID401810645-22-06-00476 (Beilstein Handbook Reference)RefChem:279999DTXCID5010355526466-68-2[1-(4-chlorobenzoyl)-2-methylindolizin-3-yl]acetic acid
Database identifiers
- CAS
26466-68-2- PubChem CID
- 33517
- DTXSID
DTXSID40181064
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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