1H-Pyrrole-2-carboxylicacid,3-fluoro-,ethylester(9ci)

C₇H₈FNO₂CAS 168102-05-4157.14 g/mol

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Aryl halide Ester

Properties

Molecular formula: C₇H₈FNO₂
Molar mass: 157.14 g/mol
Exact mass: 157.0539 Da
logP: 1.33Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

168102-05-4

SMILES

CCOC(=O)C1=C(C=CN1)F

InChIKey

XKAWEJUJIOUTRS-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FNO2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2H2,1H3

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Names and synonyms

1 names

Ethyl 3-fluoro-1H-pyrrole-2-carboxylate

Work with 1H-Pyrrole-2-carboxylicacid,3-fluoro-,ethylester(9ci)

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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