3-Bromo-4-methylpyrrole-2,5-dione
Basic information
- CAS
69636-51-7- Standard SMILES
CC1=C(Br)C(=O)NC1=O- InChIKey
MUKSFXNFJBIMNN-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO2
- Average molar mass
- 189.99 g/mol
- Monoisotopic mass
- 188.94254
Names & identifiers
- Preferred name
- 3-Bromo-4-methylpyrrole-2,5-dione
- IUPAC
- 3-bromo-4-methylpyrrole-2,5-dione
Names & synonyms
3-bromo-4-methylpyrrole-2,5-dione69636-51-7DTXSID50306827RefChem:277488DTXCID80257954bromcitraconimideNSC180528SCHEMBL1164153NSC-1805283-bromo-4-methyl-1H-pyrrole-2,5-dione
Database identifiers
- CAS
69636-51-7- PubChem CID
- 301810
- DTXSID
DTXSID50306827
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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