6-Fluoro-2-naphthoic acid

C₁₁H₇FO₂CAS 5043-01-6190.17 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
logP: 2.68Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

5043-01-6

SMILES

C1=CC2=C(C=CC(=C2)F)C=C1C(=O)O

InChIKey

CYKDCZRPLWJEKA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 6-Fluoro-2-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

2,6-Naphthalenedicarboxylic acid1141-38-474 % similar 4-Fluorobenzoic acid456-22-466 % similar 3-Fluorobenzoic acid455-38-965 % similar 2-Naphthoic acid93-09-465 % similar 2-Anthracenecarboxylic acid613-08-163 % similar 6-Hydroxy-2-naphthoic acid16712-64-461 % similar 4'-Fluoro-biphenyl-4-carboxylic acid5731-10-259 % similar 6-Amino-2-naphthoic acid116668-47-459 % similar

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

Same formula

4-Fluoro-1-naphthoic acid573-03-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook