Basic information
- CAS
80589-75-9- Standard SMILES
CCOc1oc(-c2ccc(CC(=O)O)cc2)nc1-c1ccc(Cl)cc1Cl- InChIKey
LRGDOGOVTUNHRT-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2NO4
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.0378133
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(4-(2,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-
- IUPAC
- 2-[4-[4-(2,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetic acid
Names & synonyms
BRN 4576747Benzeneacetic acid, 4-(4-(2,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-80589-75-9DTXSID302304194-(4-(2,4-Dichlorophenyl)-5-ethoxy-2-oxazolyl)benzeneacetic acidRefChem:324181DTXCID80152910{4-[4-(2,4-Dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl}acetic acid
Database identifiers
- CAS
80589-75-9- PubChem CID
- 3062292
- DTXSID
DTXSID30230419
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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