5-(4-Fluorophenyl)furan-2-carboxylic acid

C₁₁H₇FO₃CAS 73269-32-6206.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₇FO₃
Molar mass: 206.17 g/mol
Exact mass: 206.0379 Da
logP: 2.78Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73269-32-6

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)F

InChIKey

CEPXYOAURAQQGM-UHFFFAOYSA-N

InChI

InChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-(4-Fluoro-phenyl)-furan-2-carboxylic acid

Work with 5-(4-Fluorophenyl)furan-2-carboxylic acid

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

Similar compounds

5-Phenylfuran-2-carboxylic acid52938-97-368 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-867 % similar 5-(4-Methoxyphenyl)-2-furoic acid52938-99-562 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-159 % similar 2,5-Furandicarboxylic acid3238-40-255 % similar 4'-Fluoro-biphenyl-4-carboxylic acid5731-10-254 % similar 5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid33282-24-554 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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