3-(4-Bromophenyl)propionitrile

C₉H₈BrNCAS 57775-08-3210.07 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: 2.91Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

57775-08-3

SMILES

C1=CC(=CC=C1CCC#N)Br

InChIKey

QAWLKTDBUQOFEF-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2

Weigh it out

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Names and synonyms

1 names

3-(4-Bromophenyl)propanenitrile

Work with 3-(4-Bromophenyl)propionitrile

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-Bromophenyl)acetonitrile16532-79-965 % similar 3-(p-Hydroxyphenyl)propiononitrile17362-17-363 % similar Benzenepropanenitrile645-59-060 % similar 4-Methoxybenzenepropanenitrile22442-48-452 % similar 3-(4-Bromophenyl)propan-1-ol25574-11-248 % similar 1-Bromo-4-butylbenzene41492-05-148 % similar 1-Bromo-4-pentylbenzene51554-95-147 % similar Benzenebutanenitrile2046-18-646 % 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 4-Bromo-3,5-dimethyl-benzonitrile75344-77-3

Elsewhere

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