2-tert-Butoxy-3-chloronaphthalene-1,4-dione
Basic information
- CAS
89131-25-9- Standard SMILES
CC(C)(C)OC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
HUIWOUSGRXECRI-UHFFFAOYSA-N- Molecular formula
- C14H13ClO3
- Average molar mass
- 264.7 g/mol
- Monoisotopic mass
- 264.055322
Names & identifiers
- Preferred name
- 2-tert-Butoxy-3-chloronaphthalene-1,4-dione
- IUPAC
- 2-chloro-3-[(2-methylpropan-2-yl)oxy]naphthalene-1,4-dione
Names & synonyms
89131-25-92-(tert-butoxy)-3-chloronaphthalene-1,4-dione2-tert-Butoxy-3-chloronaphthalene-1,4-dioneSCHEMBL10715966DTXSID20603239
Database identifiers
- CAS
89131-25-9- PubChem CID
- 20165702
- DTXSID
DTXSID20603239
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 417
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Compound notes
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