2-(Carboxymethyl)-5-fluorobenzoic acid

C₉H₇FO₄CAS 583880-95-9198.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₇FO₄
Molar mass: 198.15 g/mol
Exact mass: 198.0328 Da
logP: 1.15Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 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

583880-95-9

SMILES

C1=CC(=C(C=C1F)C(=O)O)CC(=O)O

InChIKey

FXXMBGNOEIFPTJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FO4/c10-6-2-1-5(3-8(11)12)7(4-6)9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)

Weigh it out

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

Work with 2-(Carboxymethyl)-5-fluorobenzoic 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

2,4-Difluorophenylacetic acid81228-09-365 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-962 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-262 % similar 2,5-Difluorobenzeneacetic acid85068-27-561 % similar 4-Fluorophthalic acid320-97-860 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-160 % similar Homophthalic acid89-51-059 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-459 % similar

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

Same formula

Fluoroaspirin364-71-6

Elsewhere

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