3-Bromofluoranthene

C₁₆H₉BrCAS 13438-50-1281.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₉Br
Molar mass: 281.15 g/mol
Exact mass: 279.9888 Da
logP: 5.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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 1,5-Dibromonaphthalene7351-74-852 % similar 3-Aminofluoranthene2693-46-152 % similar 1-Bromo-4-phenylnaphthalene59951-65-452 % similar 5-Bromoacenaphthene2051-98-150 % similar 1-Bromonaphthalene90-11-950 % similar 1-Bromo-4-chloronaphthalene53220-82-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromopyrene1714-29-0 4-Bromopyrene1732-26-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook