2-Bromo-9-fluorenone

C₁₃H₇BrOCAS 3096-56-8259.10 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 irritation93.2% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3096-56-8

SMILES

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

InChIKey

MTCARZDHUIEYMB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromo-9-fluorenone

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

2,7-Dibromo-9-fluorenone14348-75-581 % similar 2-Bromoanthraquinone572-83-870 % similar 3,9-Dibromo-7H-benz[de]anthracen-7-one81-98-166 % similar 5,9-Dibromo-7H-benzo[C]fluoren-7-one1637660-36-665 % similar 2-Hydroxyfluorenone6949-73-164 % similar Fluorenone486-25-963 % similar 2,6-Dibromoanthraquinone633-70-560 % similar 3-Bromophenanthrene-9,10-dione13292-05-259 % similar

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

Same formula

3-Bromo-9H-fluoren-9-one2041-19-2 4-Bromo-9H-fluoren-9-one4269-17-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook