Basic information
- CAS
912356-07-1- Standard SMILES
CN1CC(=O)C(c2ccccc2Oc2ccc(Cl)cc2)C1=O- InChIKey
VOTGBXTUIFUDJK-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO3
- Average molar mass
- 315.7 g/mol
- Monoisotopic mass
- 315.06622099
Names & identifiers
- Preferred name
- 3-(2-(4-Chlorophenoxy)phenyl)-1-methylpyrrolidine-2,4-dione
- IUPAC
- 3-[2-(4-chlorophenoxy)phenyl]-1-methylpyrrolidine-2,4-dione
- English name
- 3-[2-(4-Chlorophenoxy)phenyl]-1-Methyl-1H-pyrrolidin-2,4-dione
- Molecular formula
- C17H14ClNO3
- Molecular weight
- 315.75
Names & synonyms
3-(2-(4-CHLOROPHENOXY)PHENYL)-1-METHYLPYRROLIDINE-2,4-DIONE912356-07-13-[2-(4-chlorophenoxy)phenyl]-1-methylpyrrolidine-2,4-dione3-[2-(4-Chloro-phenoxy)-phenyl]-1-methyl-pyrrolidine-2,4-dione3-[2-(4-CHLOROPHENOXY)PHENYL]-1-METHYL-PYRROLIDINE-2,4-DIONE3-(2-(4-chlorophenoxy)phenyl)-1-methyl-pyrrolidine-2,4-dioneSCHEMBL872504DTXSID50631000VOTGBXTUIFUDJK-UHFFFAOYSA-N1352744-53-6DB-356333DB-356785
Show more names
3-[4-(4-Chlorophenoxy)phenyl]-1-methyl-2,4-pyrrolidinedione2,4-Pyrrolidinedione, 3-[4-(4-chlorophenoxy)phenyl]-1-methyl-3-[2-(4-Chlorophenoxy)phenyl]-1-Methyl-1H-pyrrolidin-2,4-dione
F798894
Database identifiers
- CAS
912356-07-1- PubChem CID
- 23148658
- DTXSID
DTXSID50631000
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 503.7 · 503.7±50.0 °C(Predicted)
- Density
- 1.318 · 1.318
- pka
- 12.67 · 12.67±0.20(Predicted)
Chemistry & industry
Suppliers2 total
爱必信(上海)生物科技有限公司021-38015121-8802 · [email protected]
宁波亿诺化学品有限公司[email protected]
Related reactions
10 records
Compound notes
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