CAS 196207-58-6 | 9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester) | CAS Number 196207-58-6

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196207-58-6 | 9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester)

CAS No: 196207-58-6 Catalog No: AG0034EZ MDL No:MFCD16294554

Product Description

Catalog Number:

AG0034EZ

Chemical Name:

9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester)

CAS Number:

196207-58-6

Molecular Formula:

C41H64B2O4

Molecular Weight:

642.5665

MDL Number:

MFCD16294554

IUPAC Name:

2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI:

InChI=1S/C41H64B2O4/c1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43/h23-26,29-30H,11-22,27-28H2,1-10H3

InChI Key:

FAHIZHKRQQNPLC-UHFFFAOYSA-N

SMILES:

CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:

884

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

642.499g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

642.579g/mol

Monoisotopic Mass:

642.499g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
2,2'-(9,9-Dioctyl-9H-fluorene-2,7-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).	Acta crystallographica. Section E, Structure reports online 20111201
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