2-(Trifluoromethoxy)chlorobenzene

C₇H₄ClF₃OCAS 450-96-4196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
logP: 3.24Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

450-96-4

SMILES

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

InChIKey

NZRLCYJRHKUVCV-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

1 names

1-Chloro-2-(trifluoromethoxy)benzene

Work with 2-(Trifluoromethoxy)chlorobenzene

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

1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-463 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-859 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-557 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-254 % similar 2-Trifluoromethoxyaniline1535-75-753 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-953 % similar 2-(Trifluoromethoxy)thiophenol175278-01-053 % similar 2-Trifluoromethoxyphenol32858-93-853 % similar

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

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook