Basic information
- CAS
41791-48-4- Standard SMILES
CC(Oc1ccc2ccccc2c1Cl)C(=O)O- InChIKey
AIVINHFSMZQJFB-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0396719
Names & identifiers
- Preferred name
- 2-[(1-Chloronaphthalen-2-yl)oxy]propanoic acid
- IUPAC
- 2-(1-chloronaphthalen-2-yl)oxypropanoic acid
Names & synonyms
41791-48-42-[(1-Chloronaphthalen-2-yl)oxy]propanoic acidDTXSID20785569
Database identifiers
- CAS
41791-48-4- PubChem CID
- 71361920
- DTXSID
DTXSID20785569
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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