5-Bromobenzene-1,3-dicarbonitrile

C₈H₃BrN₂CAS 160892-07-9207.03 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₃BrN₂
Molar mass: 207.03 g/mol
Exact mass: 205.9480 Da
logP: 2.19Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
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

160892-07-9

SMILES

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

InChIKey

KEODZYDOBHDZOT-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H

Weigh it out

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Names and synonyms

1 names

5-Bromo-1,3-benzenedicarbonitrile

Work with 5-Bromobenzene-1,3-dicarbonitrile

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

3-Bromo-5-fluorobenzonitrile179898-34-168 % similar 3-Bromo-5-chlorobenzonitrile304854-55-568 % similar 3-Bromobenzonitrile6952-59-660 % similar 5-Bromonicotinonitrile35590-37-558 % similar 4-Bromobenzonitrile623-00-757 % similar 5-Methylisophthalonitrile39718-07-550 % similar 3,5-Dicyanofluorobenzene453565-55-450 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-448 % similar

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

Same formula

4-Bromophthalonitrile70484-01-4

Elsewhere

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