2-Bromo-9,9-di-n-octylfluorene

C₂₉H₄₁BrCAS 302554-80-9469.55 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₂₉H₄₁Br
Molar mass: 469.55 g/mol
Exact mass: 468.2392 Da
logP: 10.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 14

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

302554-80-9

SMILES

CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCCCC

InChIKey

ITVGRPGDCPNGHZ-UHFFFAOYSA-N

InChI

InChI=1S/C29H41Br/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3

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Names and synonyms

1 names

2-Bromo-9,9-dioctyl fluorene

Work with 2-Bromo-9,9-di-n-octylfluorene

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-Bromo-9,9-dihexyl fluorene226070-05-9100 % similar 2,7-Dibromo-9,9-didecylfluorene175922-78-886 % similar 9,9-Dihexyl-2,7-dibromofluorene189367-54-286 % similar 9,9-Dioctyl-2,7-dibromofluorene198964-46-486 % similar 2-Bromo-9,9-diethylfluorene287493-15-665 % similar 9,9-Dihexyl-9H-fluoren-2-boronic acid371193-08-763 % similar 2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane302554-81-058 % similar 2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-750 % similar

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

Elsewhere

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