5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid
Properties
- Molecular formula
- C10H6FNO3
- Molar mass
- 207.16 g/mol
- Exact mass
- 207.0332 Da
- logP
- 2.18Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
33282-24-5SMILES
O=C(O)c1cc(-c2ccc(F)cc2)on1InChIKey
OFWUBERMKPVMCT-UHFFFAOYSA-NInChI
InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-
- 3-Isoxazolecarboxylic acid, 5-(p-fluorophenyl)-
- 5-(4-Fluorophenyl)isoxazole-3-carboxylic acid
- 5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
Work with 5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid
Similar compounds
5-Phenylisoxazole-3-carboxylic acid14441-90-870 % similar
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-369 % similar
5-(2-Furyl)isoxazole-3-carboxylic acid98434-06-155 % similar
5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-654 % similar
4'-Fluoro-biphenyl-4-carboxylic acid5731-10-250 % similar
5-Fluoropyridine-2-carboxylic acid107504-08-548 % similar
3-Methyl-5-isoxazolecarboxylic acid3405-77-448 % similar
4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.