4-Fluoro-1-naphthoic acid

C₁₁H₇FO₂CAS 573-03-5190.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₇FO₂
Molar mass: 190.17 g/mol
Exact mass: 190.0430 Da
Melting point: 224.5–225 °C
logP: 2.68Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

573-03-5

SMILES

O=C(O)c1ccc(F)c2ccccc12

InChIKey

DEWIOKQDRWFLFW-UHFFFAOYSA-N

InChI

InChI=1S/C11H7FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)

Weigh it out

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

Names and synonyms

4 names

1-Naphthalenecarboxylic acid, 4-fluoro-
1-Naphthoic acid, 4-fluoro-
4-Fluoro-1-naphthalenecarboxylic acid
NSC 10831

Work with 4-Fluoro-1-naphthoic 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

1,4-Naphthalenedicarboxylic acid605-70-974 % similar 2-Fluorobenzoic acid445-29-461 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-359 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-559 % similar 2,3,4-Trifluorobenzoic acid61079-72-958 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-854 % similar Phthalic acid88-99-352 % similar 2,4-Difluorobenzoic acid1583-58-051 % similar

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

Elsewhere

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