4-Bromo-9H-fluoren-9-one

C₁₃H₇BrOCAS 4269-17-4259.10 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₇BrO
Molar mass: 259.10 g/mol
Exact mass: 257.9680 Da
logP: 3.66Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 9 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

4269-17-4

SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3Br

InChIKey

YWYZCXNQMZOYHM-UHFFFAOYSA-N

InChI

InChI=1S/C13H7BrO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H

Weigh it out

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

Work with 4-Bromo-9H-fluoren-9-one

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

Fluorenone486-25-959 % similar Fluorenone-4-carboxylic acid6223-83-259 % similar 3-Bromobenzanthrone81-96-958 % similar Dibromodibenzo[b,def]chrysene-7,14-dione1324-11-455 % similar 5,9-Dibromo-7H-benzo[C]fluoren-7-one1637660-36-650 % similar Benzanthrone82-05-350 % similar 2-Bromobenzophenone13047-06-848 % similar Anthraquinone84-65-148 % similar

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

Same formula

3-Bromo-9H-fluoren-9-one2041-19-2 2-Bromo-9-fluorenone3096-56-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook