chempirical

4-Bromopyrene

C16H9BrCAS 1732-26-9281.15 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C16H9Br
Molar mass
281.15 g/mol
Exact mass
279.9888 Da
Melting point
148.2–150.2 °C
logP
5.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1732-26-9
SMILES
Brc1cc2cccc3ccc4cccc1c4c32
InChIKey
QMHTZTOPYZKQLC-UHFFFAOYSA-N
InChI
InChI=1S/C16H9Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H

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Names and synonyms

1 names
  • Pyrene, 4-bromo-

Work with 4-Bromopyrene

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

Benzo(A)pyrene50-32-855 % similar 1,8-Dibromopyrene38303-35-454 % similar Benzo(ghi)perylene191-24-252 % similar Benzo(E)pyrene192-97-250 % similar 1-Bromo-8-chloronaphthalene20816-79-948 % similar Pyrene129-00-048 % similar 1,3,6,8-Tetrabromopyrene128-63-246 % similar 2,3-Dibromonaphthalene13214-70-546 % similar

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

Same formula

3-Bromofluoranthene13438-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook