2,4-Dichloronaphthalen-1-yl acetate
Basic information
- CAS
5435-74-5- Standard SMILES
CC(=O)Oc1c(Cl)cc(Cl)c2ccccc12- InChIKey
URYHCDIHHVZKCH-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O2
- Average molar mass
- 255.09 g/mol
- Monoisotopic mass
- 253.9901349
Names & identifiers
- Preferred name
- 2,4-Dichloronaphthalen-1-yl acetate
- IUPAC
- (2,4-dichloronaphthalen-1-yl) acetate
Names & synonyms
5435-74-52,4-dichloronaphthalen-1-yl acetate(2,4-dichloronaphthalen-1-yl) acetateNSC21498DTXSID80281390NSC-21498
Database identifiers
- CAS
5435-74-5- PubChem CID
- 228522
- DTXSID
DTXSID80281390
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
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Related reactions
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Compound notes
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