Bis(4-bromophenyl)acetylene

C₁₄H₈Br₂CAS 2789-89-1336.03 g/mol

Open in Covalent MOL file

Alkyne Aryl halide

Properties

Molecular formula: C₁₄H₈Br₂
Molar mass: 336.03 g/mol
Exact mass: 333.8993 Da
logP: 4.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

2789-89-1

SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)Br

InChIKey

FJQGIJIHOXZMMJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H8Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H

Weigh it out

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Work with Bis(4-bromophenyl)acetylene

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

1,4-Dibromobenzene106-37-660 % similar (4-Bromophenylethynyl)trimethylsilane16116-78-258 % similar 4-Bromobenzonitrile623-00-757 % similar 4-Bromophenylacetylene766-96-157 % similar 4,4''-Dibromo-P-terphenyl17788-94-250 % similar 4,4′-Dibromobiphenyl92-86-450 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-047 % similar 4-Bromophenol106-41-245 % similar

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

Same formula

9,10-Dibromophenanthrene15810-15-8 2,6-Dibromoanthracene186517-01-1 9,10-Dibromoanthracene523-27-3 2,7-Dibromophenanthrene62325-30-8

Elsewhere

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