1H-Pyrrole-2,5-dione, 3-(bromomethyl)-4-chloro-
Basic information
- CAS
339152-96-4- Standard SMILES
O=C1NC(=O)C(CBr)=C1Cl- InChIKey
WRKPOMIXTRWQIT-UHFFFAOYSA-N- Molecular formula
- C5H3BrClNO2
- Average molar mass
- 224.44 g/mol
- Monoisotopic mass
- 222.90357
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,5-dione, 3-(bromomethyl)-4-chloro-
- IUPAC
- 3-(bromomethyl)-4-chloropyrrole-2,5-dione
Names & synonyms
CCRIS 88213-(Bromomethyl)-4-chloro-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3-(bromomethyl)-4-chloro-339152-96-49K4WK4NC9PDTXSID70187539
Database identifiers
- CAS
339152-96-4- PubChem CID
- 3025985
- DTXSID
DTXSID70187539- UNII
- 9K4WK4NC9P
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 236
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Compound notes
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