Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate

C₁₃H₁₂FNO₂CAS 881674-06-2233.24 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₃H₁₂FNO₂
Molar mass: 233.24 g/mol
Exact mass: 233.0852 Da
logP: 3.00Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

881674-06-2

SMILES

CCOC(=O)C1=CNC(=C1)C2=CC=CC=C2F

InChIKey

KXQMTNMMOMBDLC-UHFFFAOYSA-N

InChI

InChI=1S/C13H12FNO2/c1-2-17-13(16)9-7-12(15-8-9)10-5-3-4-6-11(10)14/h3-8,15H,2H2,1H3

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Names and synonyms

1 names

1H-Pyrrole-3-carboxylic acid, 5-(2-fluorophenyl)-, ethyl ester

Work with Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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