4-Bromo-3-(trifluoromethyl)benzonitrile

C₈H₃BrF₃NCAS 1735-53-1250.02 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

1735-53-1

SMILES

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

InChIKey

KSXUIQQDHHFSRN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Trifluoromethyl-4-bromobenzonitrile

Work with 4-Bromo-3-(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

4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-860 % similar 4-Chloro-3-(trifluoromethyl)benzonitrile1735-54-260 % similar 4-Methyl-3-(trifluoromethyl)benzonitrile261952-06-160 % similar 2-Amino-5-cyanobenzotrifluoride327-74-260 % similar 3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-157 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-056 % similar 3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-156 % 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 4-Bromo-2-(trifluoromethyl)benzonitrile191165-13-6 2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-9

Elsewhere

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