8-(4-Chlorophenyl)-2H-[1,3]dioxolo[4,5-g]phthalazin-5(6H)-one
Basic information
- CAS
656834-03-6- Standard SMILES
O=c1[nH]nc(-c2ccc(Cl)cc2)c2cc3c(cc12)OCO3- InChIKey
LSHZBBZBHQKCTB-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2O3
- Average molar mass
- 300.69 g/mol
- Monoisotopic mass
- 300.0301698
Names & identifiers
- Preferred name
- 8-(4-Chlorophenyl)-2H-[1,3]dioxolo[4,5-g]phthalazin-5(6H)-one
- IUPAC
- 5-(4-chlorophenyl)-7H-[1,3]dioxolo[4,5-g]phthalazin-8-one
Names & synonyms
656834-03-68-(4-Chlorophenyl)-[1,3]dioxolo[4,5-g]phthalazin-5(6H)-one8-(4-Chlorophenyl)-2H-[1,3]dioxolo[4,5-g]phthalazin-5(6H)-oneCHEMBL344262DTXSID20658426
Database identifiers
- CAS
656834-03-6- PubChem CID
- 44358686
- DTXSID
DTXSID20658426- ChEMBL
CHEMBL344262
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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