chempirical

1,3,5-Tris[4-(bromomethyl)phenyl]benzene

C27H21Br3CAS 42837-44-5585.18 g/mol

Open in Covalent MOL file
BrBrBr
Alkyl halide

Properties

Molecular formula
C27H21Br3
Molar mass
585.18 g/mol
Exact mass
581.9193 Da
logP
9.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

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
42837-44-5
SMILES
C1=CC(=CC=C1CBr)C2=CC(=CC(=C2)C3=CC=C(C=C3)CBr)C4=CC=C(C=C4)CBr
InChIKey
OMSHYLJZYDPPHE-UHFFFAOYSA-N
InChI
InChI=1S/C27H21Br3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-15H,16-18H2

Weigh it out

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Work with 1,3,5-Tris[4-(bromomethyl)phenyl]benzene

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-Bromomethylbiphenyl2567-29-568 % similar 1,4-Bis(bromomethyl)benzene623-24-567 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar 4-Iodobenzyl bromide16004-15-250 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-150 % similar 1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-050 % similar

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

Elsewhere

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