AG0037E3

317802-08-7 | 9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

AG0037E3

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CAS Number	317802-08-7
Catalog Number	AG0037E3(AGN-PC-0LA3BI)
Chemical Name	9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester
IUPAC Name	2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane
InChI	InChI=1S/C35H52B2O4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37/h17-20,27-28H,3-16,21-26H2,1-2H3
InChI Key	KAYXDWIILRESPY-UHFFFAOYSA-N
MDL Number	MFCD03701607
Molecular Formula	C35H52B2O4
Molecular Weight	558.4070
SMILES	CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)B1OCCCO1)B1OCCCO1
Synonyms	317802-08-7, 2,2'-(9,9-dioctyl-9h-fluorene-2,7-diyl)bis(1,3,2-dioxaborinane), 9,9-Dioctylfluorene-2,7-bis(trimethylborate), 9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester, MFCD03701607, 1,3,2-Dioxaborinane, 2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis-, AC1N91SK, SCHEMBL793599, CTK1B2655, DTXSID40402605, AKOS015894295, ZINC169746842, VZ31075, 2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctyl-fluoren-2-yl]-1,3,2-dioxaborinane, AS-55594, C-0085, 9,9-dioctylfluorene-2,7-bis(trimethyleneborate), I04-9797, J-018532, 2,2-(9,9-Dioctyl-9H-fluorene-2,7-diyl)bis(1,3,2-dioxaborinane), 9,9-dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol)ester, 9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester, 97%, 2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctyl-9H-fluoren-2-yl]-1,3,2-dioxaborinane, 2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane, CID4378560, 99-DIOCTYLFLUORENE-27-BIS(TRIMETHYLBO&, 9 9-DIOCTYLFLUORENE-2 7-BIS(TRIMETHYLBO&, 9,9-DIOCTYLFLUORENE-2,7-BIS(TRIMETHYLENE BORATE), 2,7-Bis(1,3,2-dioxaborinan-2-yl)-9,9-dioctyl-9H-fluorene,

Complexity	665
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	558.405g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	558.417g/mol
Monoisotopic Mass	558.405g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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