2-Bromo-4-(trifluoromethyl)phenylacetonitrile

C₉H₅BrF₃NCAS 474024-36-7264.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₉H₅BrF₃N
Molar mass: 264.05 g/mol
Exact mass: 262.9557 Da
logP: 3.53Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
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

474024-36-7

SMILES

C1=CC(=C(C=C1C(F)(F)F)Br)CC#N

InChIKey

RYUZTTSDBHOIAF-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrF3N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2

Weigh it out

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Work with 2-Bromo-4-(trifluoromethyl)phenylacetonitrile

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-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-765 % similar 2,5-Bis(trifluoromethyl)phenylacetonitrile302911-99-564 % similar 2-Fluoro-5-(trifluoromethyl)phenylacetonitrile220227-59-861 % similar 2-Chloro-5-(trifluoromethyl)benzeneacetonitrile22902-88-159 % similar 2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-955 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile13544-06-455 % similar (2-Bromophenyl)acetonitrile19472-74-353 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-253 % similar

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

Same formula

4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-7

Elsewhere

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