3-(3,5-Dichlorophenoxy)butyric acid
Basic information
- CAS
67883-08-3- Standard SMILES
CC(CC(=O)O)Oc1cc(Cl)cc(Cl)c1- InChIKey
NWXIUIWAVPASHD-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O3
- Average molar mass
- 249.09 g/mol
- Monoisotopic mass
- 248.0006996
Names & identifiers
- Preferred name
- 3-(3,5-Dichlorophenoxy)butyric acid
- IUPAC
- 3-(3,5-dichlorophenoxy)butanoic acid
Names & synonyms
67883-08-33-(3,5-DICHLOROPHENOXY)BUTYRIC ACID3-(3,5-dichlorophenoxy)butanoic acidDTXSID20987248Butanoic acid, 3-(3,5-dichlorophenoxy)-
Database identifiers
- CAS
67883-08-3- PubChem CID
- 49992
- DTXSID
DTXSID20987248- Nikkaji
- J1.593.192B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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