2-Bromo-4-(trifluoromethyl)benzonitrile

C₈H₃BrF₃NCAS 35764-15-9250.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₃BrF₃N
Molar mass: 250.02 g/mol
Exact mass: 248.9401 Da
logP: 3.34Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

35764-15-9

SMILES

N#Cc1ccc(C(F)(F)F)cc1Br

InChIKey

YQDJZASWOJHHGY-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H

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Names and synonyms

1 names

Benzonitrile, 2-bromo-4-(trifluoromethyl)-

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

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)benzonitrile146070-34-062 % similar 2-Amino-4-(trifluoromethyl)benzonitrile1483-54-160 % similar 2-Bromo-4-fluorobenzonitrile36282-26-556 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-056 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-451 % similar 2-Bromo-4-chlorobenzonitrile57381-49-451 % similar 2-Bromo-4-trifluoromethylaniline57946-63-151 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-951 % similar

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

Same formula

5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-1 2-Bromo-5-(trifluoromethyl)benzonitrile1483-55-2

Elsewhere

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