chempirical

3-Bromofluoranthene

C16H9BrCAS 13438-50-1281.15 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
logP
5.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13438-50-1
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
InChIKey
WCXFCLXZMIFHBU-UHFFFAOYSA-N
InChI
InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Bromofluoranthene

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

3-Bromobenzanthrone81-96-961 % similar 1,4-Dibromonaphthalene83-53-457 % similar 3-Aminofluoranthene2693-46-152 % similar 5-Bromoacenaphthene2051-98-150 % similar Benz(E)acephenanthrylene205-99-247 % similar 2,2′-Dibromobiphenyl13029-09-946 % similar 3,9-Dibromo-7H-benz[de]anthracen-7-one81-98-145 % similar 1,8-Dibromopyrene38303-35-444 % similar

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

Same formula

4-Bromopyrene1732-26-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook