3-INDOLIZINEACETIC ACID, 1-(p-CHLOROBENZOYL)-6-METHOXY-2-METHYL-
Basic information
- CAS
35475-74-2- Standard SMILES
COc1ccn2c(CC(=O)O)c(C)c(C(=O)c3ccc(Cl)cc3)c2c1- InChIKey
WGROBELOXUSTPD-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO4
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.0767857
Names & identifiers
- Preferred name
- 3-INDOLIZINEACETIC ACID, 1-(p-CHLOROBENZOYL)-6-METHOXY-2-METHYL-
- IUPAC
- 2-[1-(4-chlorobenzoyl)-7-methoxy-2-methylindolizin-3-yl]acetic acid
Names & synonyms
3-INDOLIZINEACETIC ACID, 1-(p-CHLOROBENZOYL)-6-METHOXY-2-METHYL-35475-74-2BRN 04473441-(p-Chlorobenzoyl)-6-methoxy-2-methyl-3-indolizineacetic acidDTXSID10188984[1-(4-chlorobenzoyl)-7-methoxy-2-methylindolizin-3-yl]acetic acid
Database identifiers
- CAS
35475-74-2- PubChem CID
- 37156
- DTXSID
DTXSID10188984
Properties
Computed structural properties
- XLogP
- 4.3
- 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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