Basic information
- CAS
144025-26-3- Standard SMILES
CCC(C)C1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
MVYZSLUUXTZHOA-UHFFFAOYSA-N- Molecular formula
- C14H13ClO2
- Average molar mass
- 248.7 g/mol
- Monoisotopic mass
- 248.0604073
Names & identifiers
- Preferred name
- 2-(Butan-2-yl)-3-chloronaphthalene-1,4-dione
- IUPAC
- 2-butan-2-yl-3-chloronaphthalene-1,4-dione
Names & synonyms
144025-26-32-(sec-Butyl)-3-chloronaphthalene-1,4-dione2-(Butan-2-yl)-3-chloronaphthalene-1,4-dioneSCHEMBL9627565DTXSID20600864
Database identifiers
- CAS
144025-26-3- PubChem CID
- 19872829
- DTXSID
DTXSID20600864
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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