4-Fluoro-1-naphthoic acid

C11H7FO2CAS 573-03-5190.17 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
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 4-Bromo-1-naphtalenecarboxylic acid16650-55-859 % similar 4-Methyl-1-naphthoic acid4488-40-859 % similar 2,3,4-Trifluorobenzoic acid61079-72-958 % similar 1-Naphthoic acid86-55-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Fluoro-2-naphthoic acid5043-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook