chempirical

2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid

C9H5Cl2F3O2CAS 132992-36-0273.03 g/mol

Open in Covalent MOL file
ClOHOClFFF
Alkyl halideAryl halideCarboxylic acid

Properties

Molecular formula
C9H5Cl2F3O2
Molar mass
273.03 g/mol
Exact mass
271.9619 Da
logP
3.64Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
132992-36-0
SMILES
C1=C(C=C(C(=C1Cl)CC(=O)O)Cl)C(F)(F)F
InChIKey
IGIZNOWEWCGVKX-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2F3O2/c10-6-1-4(9(12,13)14)2-7(11)5(6)3-8(15)16/h1-2H,3H2,(H,15,16)

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Work with 2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid

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

2,6-Dichlorophenylacetic acid6575-24-262 % similar 3,5-Bis(trifluoromethyl)phenylacetic acid85068-33-361 % similar 3-Chloro-5-(trifluoromethyl)benzeneacetic acid886496-99-760 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-955 % similar 4-(Trifluoromethyl)benzeneacetic acid32857-62-853 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-753 % similar 2,5-Bis(trifluoromethyl)benzeneacetic acid302912-02-350 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-949 % similar

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

Elsewhere

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