2,8-Dibromoindeno[1,2-b]fluorene-6,12-dione

C₂₀H₈Br₂O₂CAS 853234-57-8440.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₈Br₂O₂
Molar mass: 440.09 g/mol
Exact mass: 437.8891 Da
logP: 5.42Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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

853234-57-8

SMILES

C1=CC2=C(C=C1Br)C(=O)C3=CC4=C(C=C23)C(=O)C5=C4C=CC(=C5)Br

InChIKey

PFFSYBJLQOJRQU-UHFFFAOYSA-N

InChI

InChI=1S/C20H8Br2O2/c21-9-1-3-11-13-7-18-14(8-17(13)19(23)15(11)5-9)12-4-2-10(22)6-16(12)20(18)24/h1-8H

Weigh it out

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

Names and synonyms

1 names

Indeno[1,2-B]fluorene-6,12-dione, 2,8-dibromo-

Work with 2,8-Dibromoindeno[1,2-b]fluorene-6,12-dione

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-Bromobenzo[9,10]phenanthrene19111-87-660 % similar 2,7-Dibromotriphenylene888041-37-060 % similar 2-Bromo-10-thiaxanthenone20077-10-550 % similar 2,7-Dibromophenanthrene62325-30-844 % similar 6-Bromochromone-3-carbonitrile52817-13-744 % similar 6-Bromo-1H-indazol-3-ol885521-92-642 % similar 2,8-Dibromodibenzofuran10016-52-141 % similar 2,7-Dibromo-9H-carbazole136630-39-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook