chempirical

4-Chloro-3-(trifluoromethyl)anisole

C8H6ClF3OCAS 400-73-7210.58 g/mol

Open in Covalent MOL file
OClFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H6ClF3O
Molar mass
210.58 g/mol
Exact mass
210.0059 Da
logP
3.37Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
400-73-7
SMILES
COC1=CC(=C(C=C1)Cl)C(F)(F)F
InChIKey
HUFKNQCAJLSTLH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3

Weigh it out

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

Work with 4-Chloro-3-(trifluoromethyl)anisole

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

4-Fluoro-3-(trifluoromethyl)anisole127271-65-262 % similar 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-660 % similar 1,2-Dichloro-4-methoxybenzene36404-30-558 % similar 1-Chloro-2-fluoro-4-methoxybenzene501-29-156 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-155 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-655 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-955 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-355 % similar

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

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 [5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-7 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-0

Elsewhere

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