2-Chloro-3-(trifluoromethyl)phenol

C₇H₄ClF₃OCAS 138377-34-1196.55 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

138377-34-1

SMILES

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

InChIKey

BGXZMBZFGAIBDH-UHFFFAOYSA-N

InChI

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

Work with 2-Chloro-3-(trifluoromethyl)phenol

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

2-(Trifluoromethyl)phenol444-30-463 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-657 % similar 2-Chlororesorcinol6201-65-656 % similar 2,3-Dichlorophenol576-24-948 % similar 2-Chlorobenzotrifluoride88-16-447 % similar 1,2-Bis(trifluoromethyl)benzene433-95-446 % similar 8-(Trifluoromethyl)-4-quinolinol23779-96-646 % similar

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

Same formula

1-Chloro-4-(trifluoromethoxy)benzene461-81-4 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

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