2-Methoxy-4-(trifluoromethyl)benzaldehyde

C9H7F3O2CAS 132927-09-4204.15 g/mol

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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 4 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
132927-09-4
SMILES
COc1cc(C(F)(F)F)ccc1C=O
InChIKey
KKESHHUPAFNMPH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-5H,1H3

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Names and synonyms

1 names
  • Benzaldehyde, 2-methoxy-4-(trifluoromethyl)-

Work with 2-Methoxy-4-(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

3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-260 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-959 % similar 2,4-Bis(trifluoromethyl)benzaldehyde59664-42-558 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 2-Fluoro-5-(trifluoromethyl)anisole261951-78-457 % similar 2-Hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-457 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-957 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-755 % 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-5-(trifluoromethyl)benzaldehyde146539-83-5 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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