3-Chloro-4-hydroxybenzotrifluoride

C₇H₄ClF₃OCAS 35852-58-5196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
logP: 3.06Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

35852-58-5

SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)O

InChIKey

YNWKEXMSQQUMEL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-(trifluoromethyl)phenol

Work with 3-Chloro-4-hydroxybenzotrifluoride

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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-061 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-956 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-156 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-456 % similar

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

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 2-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

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