2-(4-Bromophenyl)-2-methylpropanenitrile

C₁₀H₁₀BrNCAS 101184-73-0224.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₁₀H₁₀BrN
Molar mass: 224.10 g/mol
Exact mass: 222.9997 Da
logP: 3.25Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

101184-73-0

SMILES

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

InChIKey

DABJLFKRJWUXMV-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3

Weigh it out

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

Work with 2-(4-Bromophenyl)-2-methylpropanenitrile

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-(4-Aminophenyl)-2-methylpropanenitrile115279-57-760 % similar 1-Bromo-4-tert-butylbenzene3972-65-456 % similar 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-155 % similar 3,5-Bis(2-cyanoprop-2-yl)toluene120511-72-047 % similar 5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile120511-84-446 % similar 1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-545 % similar Tetrakis(4-bromophenyl)methane105309-59-944 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-740 % similar

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

Same formula

3-(2-Bromoethyl)indole3389-21-7

Elsewhere

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