1-(Chloromethyl)-3-methylpyrrole-2,5-dione
Basic information
- CAS
69636-53-9- Standard SMILES
CC1=CC(=O)N(CCl)C1=O- InChIKey
RCOMEOBMVFJXLT-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2
- Average molar mass
- 159.57 g/mol
- Monoisotopic mass
- 159.0087061
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-3-methylpyrrole-2,5-dione
- IUPAC
- 1-(chloromethyl)-3-methylpyrrole-2,5-dione
Names & synonyms
69636-53-91-(chloromethyl)-3-methylpyrrole-2,5-dioneNSC188485DTXSID00307127AKOS006387895NSC-1884851-(Chloromethyl)-3-methyl-1H-pyrrole-2,5-dione
Database identifiers
- CAS
69636-53-9- PubChem CID
- 302571
- DTXSID
DTXSID00307127
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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