2-Chloro-3-(2-methylpropoxy)naphthalene-1,4-dione
Basic information
- CAS
89131-27-1- Standard SMILES
CC(C)COC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
QAPIJSATXMRTTN-UHFFFAOYSA-N- Molecular formula
- C14H13ClO3
- Average molar mass
- 264.7 g/mol
- Monoisotopic mass
- 264.055322
Names & identifiers
- Preferred name
- 2-Chloro-3-(2-methylpropoxy)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(2-methylpropoxy)naphthalene-1,4-dione
Names & synonyms
89131-27-12-Chloro-3-(2-methylpropoxy)naphthalene-1,4-dioneSCHEMBL10737111DTXSID606032382-Chloro-3-isobutoxynaphthalene-1,4-dione
Database identifiers
- CAS
89131-27-1- PubChem CID
- 20165701
- DTXSID
DTXSID60603238
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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