3-Chloro-4-(trifluoromethoxy)aniline

C₇H₅ClF₃NOCAS 64628-73-5211.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₅ClF₃NO
Molar mass: 211.57 g/mol
Exact mass: 211.0012 Da
logP: 2.82Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

64628-73-5

SMILES

C1=CC(=C(C=C1N)Cl)OC(F)(F)F

InChIKey

ZPKUUNGPBSRPRM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2

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Work with 3-Chloro-4-(trifluoromethoxy)aniline

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-Fluoro-4-(trifluoromethoxy)aniline1017779-69-964 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-464 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-760 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-459 % similar 3-Chloro-4-methoxyaniline5345-54-056 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-855 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-255 % similar 3-(Trifluoromethoxy)aniline1535-73-551 % similar

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

Same formula

3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-1 4-Chloro-2-(trifluoromethoxy)benzenamine175205-77-3 2-Chloro-4-(trifluoromethoxy)aniline69695-61-0

Elsewhere

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