Methyl 1-(2-nitrobenzoyl)pyrrole-2-carboxylate

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Basic information

CAS: 82635-51-6
Standard SMILES: COC(=O)c1cccn1C(=O)c1ccccc1[N+](=O)[O-]
InChIKey: QSLRQBZHDPARKF-UHFFFAOYSA-N
Molecular formula: C13H10N2O5
Average molar mass: 274.23 g/mol
Monoisotopic mass: 274.05897142

Names & identifiers

Preferred name: Methyl 1-(2-nitrobenzoyl)pyrrole-2-carboxylate
IUPAC: methyl 1-(2-nitrobenzoyl)pyrrole-2-carboxylate

Names & synonyms

methyl 1-(2-nitrobenzoyl)pyrrole-2-carboxylate82635-51-6NSC177991SCHEMBL29191050DTXSID80306633NSC-177991DS-011385Methyl 1-(2-nitrobenzoyl)-1H-pyrrole-2-carboxylate

Database identifiers

CAS: 82635-51-6
PubChem CID: 301356
DTXSID: DTXSID80306633

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 94.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 406

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Compound notes

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