3-Bromo-9H-fluoren-9-one

C₁₃H₇BrOCAS 2041-19-2259.10 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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the 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

2041-19-2

SMILES

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

InChIKey

XWRAQISPRVFAQK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3-Bromophenanthrene-9,10-dione13292-05-274 % similar 2-Bromoanthraquinone572-83-870 % similar 2,7-Dibromo-9-fluorenone14348-75-563 % similar Fluorenone486-25-963 % similar 2,6-Dibromoanthraquinone633-70-560 % similar 3,6-Dibromophenanthrene-9,10-quinone53348-05-358 % similar Pyranthrone128-70-157 % similar 2-Hydroxyfluorenone6949-73-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-9-fluorenone3096-56-8 4-Bromo-9H-fluoren-9-one4269-17-4

Elsewhere

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