Basic information
- Standard SMILES
COc1cc(OC)nc(C2OC(=O)c3c(Cl)cccc32)n1- InChIKey
JWVRVNKMCUACLM-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4
- Average molar mass
- 306.7 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-3-(4,6-dimethoxy-2-pyrimidinyl)phthalide
- IUPAC
- 7-chloro-3-(4,6-dimethoxypyrimidin-2-yl)-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL8809644JWVRVNKMCUACLM-UHFFFAOYSA-N7-chloro-3-(4,6-dimethoxy-2-pyrimidinyl)phthalide7- chloro-3-(4,6- dimethoxy-2-pyrimidinyl)phthalide
Database identifiers
- PubChem CID
- 19050652
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
3 records
Compound notes
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