chempirical

1,8-Dibromopyrene

C16H8Br2CAS 38303-35-4360.05 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C16H8Br2
Molar mass
360.05 g/mol
Exact mass
357.8993 Da
logP
6.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
38303-35-4
SMILES
Brc1ccc2ccc3ccc(Br)c4ccc1c2c34
InChIKey
JBLQSCAVCHTKPV-UHFFFAOYSA-N
InChI
InChI=1S/C16H8Br2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H

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Names and synonyms

1 names
  • Pyrene, 1,8-dibromo-

Work with 1,8-Dibromopyrene

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-Bromopyrene1732-26-954 % similar 1,3,6,8-Tetrabromopyrene128-63-252 % similar 1,4-Dibromonaphthalene83-53-448 % similar 5-Bromoacenaphthene2051-98-143 % similar 2,6-Dibromo-1,5-naphthalenediol84-59-342 % similar Benzo(ghi)perylene191-24-239 % similar Coronene191-07-139 % similar Benzo(E)pyrene192-97-238 % similar

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

Same formula

2,7-Dibromopyrene102587-98-4

Elsewhere

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