chempirical

6,12-Dibromochrysene

C18H10Br2CAS 131222-99-6386.09 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C18H10Br2
Molar mass
386.09 g/mol
Exact mass
383.9149 Da
logP
6.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
131222-99-6
SMILES
C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br
InChIKey
RULVBMDEPWAFIN-UHFFFAOYSA-N
InChI
InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H

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Work with 6,12-Dibromochrysene

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-Dibromonaphthalene83-53-463 % similar 1,2-Dibromobenzene583-53-950 % similar 5-Bromo-7H-benzo[C]carbazole131409-18-248 % similar Benzo[B]triphenylene215-58-748 % similar Triphenylene217-59-447 % similar 1-Amino-4-bromonaphthalene2298-07-946 % similar 1-Bromo-4-fluoronaphthalene341-41-346 % similar 1-Bromo-4-methylnaphthalene6627-78-746 % similar

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

Elsewhere

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