Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
Properties
- Molecular formula
- C12H11F3O3
- Molar mass
- 260.21 g/mol
- Exact mass
- 260.0660 Da
- logP
- 2.84Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
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
1717-42-6SMILES
CCOC(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)FInChIKey
YCHPVUWFIZXXPI-UHFFFAOYSA-NInChI
InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15/h3-6H,2,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Oxo-3-(3-trifluoromethylphenyl)propionic acid ethyl ester
Work with Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
Similar compounds
Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate93618-66-773 % similar
3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester33166-77-768 % similar
Ethyl 3-(trifluoromethyl)benzoate76783-59-066 % similar
3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester21575-91-764 % similar
3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-964 % similar
3-(3-Chloro-phenyl)-3-oxo-propionic acid ethyl ester33167-21-464 % similar
3'-(Trifluoromethyl)propiophenone1533-03-563 % similar
Ethyl benzoylacetate94-02-062 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.