Basic information
- CAS
82214-83-3- Standard SMILES
CC(C)=CCC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
GTIOUUQHWVNUFO-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone
- IUPAC
- 2-chloro-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Names & synonyms
NSC22624282214-83-3CHEMBL2023284SCHEMBL17250111DTXSID80310376GTIOUUQHWVNUFO-UHFFFAOYSA-NNSC-2262422-Chloro-3-(3-methyl-2-butenyl)naphthoquinone #2-Chloro-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione1,4-2H-Naphthalene-1,4-dione, 2-chloro-3-[2-isopentenyl]-
Database identifiers
- CAS
82214-83-3- PubChem CID
- 313128
- DTXSID
DTXSID80310376- ChEMBL
CHEMBL2023284- Nikkaji
- J477.784K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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