(2,4-Dichloronaphthalen-1-yl) propanoate
Basic information
- CAS
7500-97-2- Standard SMILES
CCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12- InChIKey
RQMOBRACPFYFOS-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2O2
- Average molar mass
- 269.12 g/mol
- Monoisotopic mass
- 268.0057849
Names & identifiers
- Preferred name
- (2,4-Dichloronaphthalen-1-yl) propanoate
- IUPAC
- (2,4-dichloronaphthalen-1-yl) propanoate
Names & synonyms
7500-97-2(2,4-dichloronaphthalen-1-yl) propanoateNSC408043(2,4-dichloronaphthalen-1-yl)propanoateSCHEMBL18973592DTXSID60324951NSC-4080432,4-DICHLORONAPHTHALEN-1-YL PROPANOATE
Database identifiers
- CAS
7500-97-2- PubChem CID
- 348632
- DTXSID
DTXSID60324951
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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