4-Fluorophthalic acid

C₈H₅FO₄CAS 320-97-8184.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅FO₄
Molar mass: 184.12 g/mol
Exact mass: 184.0172 Da
logP: 1.22Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 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 6 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

320-97-8

SMILES

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

InChIKey

OMCXTFVBNCFZMY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

4-Fluorobenzene-1,2-dicarboxylic acid

Work with 4-Fluorophthalic 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

4-Fluoro-2-iodobenzoic acid56096-89-073 % similar 2,4-Difluorobenzoic acid1583-58-072 % similar 2,5-Difluorobenzoic acid2991-28-872 % similar 5-Fluorosalicylic acid345-16-470 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-970 % similar 2-Amino-4-fluorobenzoic acid446-32-270 % similar 2-Bromo-4-fluorobenzoic acid1006-41-368 % similar 2-Chloro-5-fluorobenzoic acid2252-50-868 % similar

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

Same formula

3-Fluorophthalic acid1583-67-1

Elsewhere

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