CAS 198964-46-4 | 9H-Fluorene, 2,7-dibromo-9,9-dioctyl- | CAS Number 198964-46-4

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198964-46-4 | 9H-Fluorene, 2,7-dibromo-9,9-dioctyl-

CAS No: 198964-46-4 Catalog No: AG002BU7 MDL No:MFCD03427216

Product Description

Catalog Number:

AG002BU7

Chemical Name:

9H-Fluorene, 2,7-dibromo-9,9-dioctyl-

CAS Number:

198964-46-4

Molecular Formula:

C29H40Br2

Molecular Weight:

548.4359

MDL Number:

MFCD03427216

IUPAC Name:

2,7-dibromo-9,9-dioctylfluorene

InChI:

InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3

InChI Key:

CYKLQIOPIMZZBZ-UHFFFAOYSA-N

SMILES:

CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2c2c1cc(Br)cc2

Properties

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

548.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

548.447g/mol

Monoisotopic Mass:

546.15g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.4

Literature

Title	Journal
Synthesis of unsymmetrically substituted biaryls via sequential lithiation of dibromobiaryls using integrated microflow systems.	Beilstein journal of organic chemistry 20090101
Selective monolithiation of dibromobiaryls using microflow systems.	Organic letters 20080918
9,9-Dioctyl-2,7-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene.	Acta crystallographica. Section E, Structure reports online 20080801