2-Methoxy-5-(trifluoromethyl)benzaldehyde

C9H7F3O2CAS 146539-83-5204.15 g/mol

Open in Covalent MOL file
OFFFO
AldehydeAlkyl halideEther

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
logP
2.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
146539-83-5
SMILES
COC1=C(C=C(C=C1)C(F)(F)F)C=O
InChIKey
WFRURKYDETYZGF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-5H,1H3

Weigh it out

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Work with 2-Methoxy-5-(trifluoromethyl)benzaldehyde

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-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-062 % similar 2,5-Dimethoxybenzaldehyde93-02-760 % similar 2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-359 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-159 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-258 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-257 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-757 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-3 3'-(Trifluoromethoxy)acetophenone170141-63-6 2'-(Trifluoromethoxy)acetophenone220227-93-0 Methyl 3-(trifluoromethyl)benzoate2557-13-3

Elsewhere

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