chempirical

9-Bromoanthracene

C14H9BrCAS 1564-64-3257.13 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C14H9Br
Molar mass
257.13 g/mol
Exact mass
255.9888 Da
Melting point
99–101 °C
Boiling point
212–215 °C (at 4 Torr)
logP
4.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1564-64-3
SMILES
Brc1c2ccccc2cc2ccccc12
InChIKey
ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

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Names and synonyms

5 names
  • Anthracene, 9-bromo-
  • 9-Anthracyl bromide
  • NSC 803
  • 9-Anthracenyl bromide
  • 10-Bromoanthracene

Work with 9-Bromoanthracene

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

9,9′-Bianthryl1055-23-857 % similar 10,10'-Dibromo-9,9'-bianthryl121848-75-755 % similar 1-Bromo-2-naphthalenamine20191-75-752 % similar 1-Bromo-2-methylnaphthalene2586-62-152 % similar 1-Bromo-2-hydroxynaphthalene573-97-752 % similar Benz(A)anthracene56-55-350 % similar 9-Methylanthracene779-02-250 % similar 1-Bromo-2-(bromomethyl)naphthalene37763-43-248 % similar

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

Same formula

9-Bromophenanthrene573-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook