4-Bromo-3,5-dimethyl-benzonitrile

C₉H₈BrNCAS 75344-77-3210.07 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₉H₈BrN
Molar mass: 210.07 g/mol
Exact mass: 208.9840 Da
logP: 2.94Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

75344-77-3

SMILES

CC1=CC(=CC(=C1Br)C)C#N

InChIKey

AVXHSMPHQGFXRG-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3

Weigh it out

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Work with 4-Bromo-3,5-dimethyl-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-Bromo-3-methylbenzonitrile41963-20-662 % similar 3,4-Dimethylbenzonitrile22884-95-359 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-757 % similar 4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar 3-Bromo-4-methylbenzonitrile42872-74-257 % similar 4-Fluoro-3-methylbenzonitrile185147-08-452 % similar 4-Amino-3-methylbenzonitrile78881-21-752 % similar Mesityl bromide576-83-050 % similar

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

Same formula

5-Bromo-1-methyl-1H-indole10075-52-2 5-Bromo-2-methylindole1075-34-9 6-Bromo-5-methyl-1H-indole248602-16-6 3-(4-Bromophenyl)propionitrile57775-08-3

Elsewhere

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