Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate

HCID 13601740

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Basic information

CAS: 106556-67-6
Standard SMILES: CCOC(=O)N1C=C(Br)C(=O)C1(C)C
InChIKey: SFTWIANMYYAKMK-UHFFFAOYSA-N
Molecular formula: C9H12BrNO3
Average molar mass: 262.1 g/mol
Monoisotopic mass: 261.00006

Names & identifiers

Preferred name: Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate
IUPAC: ethyl 4-bromo-2,2-dimethyl-3-oxopyrrole-1-carboxylate

Names & synonyms

106556-67-6Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylateDTXSID801157270ETHYL 4-BROMO-2,2-DIMETHYL-3-OXOPYRROLE-1-CARBOXYLATEEthyl 4-bromo-2,3-dihydro-2,2-dimethyl-3-oxo-1H-pyrrole-1-carboxylateEthyl4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate

Database identifiers

CAS: 106556-67-6
PubChem CID: 13601740
DTXSID: DTXSID801157270

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 309

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