2-[(3,5-Dichloro-4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
247570-29-2- Standard SMILES
COc1c(Cl)cc(CN2C(=O)c3ccccc3C2=O)cc1Cl- InChIKey
NMSWQZYDTONQGY-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO3
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0115986
Names & identifiers
- Preferred name
- 2-[(3,5-Dichloro-4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[(3,5-dichloro-4-methoxyphenyl)methyl]isoindole-1,3-dione
Names & synonyms
247570-29-22-[(3,5-Dichloro-4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dioneSCHEMBL6939585DTXSID1011617911H-Isoindole-1,3(2H)-dione, 2-[(3,5-dichloro-4-methoxyphenyl)methyl]-
Database identifiers
- CAS
247570-29-2- PubChem CID
- 22467390
- DTXSID
DTXSID101161791
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 423
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Compound notes
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