3-(Trifluoromethoxy)phenylacetic Acid

C₉H₇F₃O₃CAS 203302-97-0220.15 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₇F₃O₃
Molar mass: 220.15 g/mol
Exact mass: 220.0347 Da
logP: 2.21Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

203302-97-0

SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O

InChIKey

NFZQVADYFXRRPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

3-Trifluoromethoxyphenylacetic acid

Work with 3-(Trifluoromethoxy)phenylacetic 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

3-(Trifluoromethoxy)hydrocinnamic acid168833-77-074 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-568 % similar (3-Methoxyphenyl)acetic acid1798-09-064 % similar 3-Phenoxyphenylacetic acid32852-81-664 % similar 1,3-Benzenediacetic acid19806-17-862 % similar 3-(Trifluoromethoxy)benzyl alcohol50823-90-061 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-960 % similar 3-Fluorophenylacetic acid331-25-958 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-0 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-8 2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-0 Methyl 2-(trifluoromethoxy)benzoate148437-99-4 Methyl 3-(trifluoromethoxy)benzoate148438-00-0 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5 2-(Trifluoromethoxy)benzeneacetic acid220239-67-8 3-Methoxy-4-(trifluoromethyl)benzoic acid276861-63-3

Elsewhere

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