AG000BN8

1161009-89-7 | 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(9,9'-SPIROBI[9H-FLUOREN]-4-YL)-

AG000BN8

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CAS Number	1161009-89-7
Catalog Number	AG000BN8(AGN-PC-0WQUP1)
Chemical Name	1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(9,9'-SPIROBI[9H-FLUOREN]-4-YL)-
IUPAC Name	4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane
InChI	InChI=1S/C31H27BO2/c1-29(2)30(3,4)34-32(33-29)27-19-11-18-26-28(27)22-14-7-10-17-25(22)31(26)23-15-8-5-12-20(23)21-13-6-9-16-24(21)31/h5-19H,1-4H3
InChI Key	GPTMWZAAIQOCLM-UHFFFAOYSA-N
MDL Number	MFCD30187275
Molecular Formula	C31H27BO2
Molecular Weight	442.3559
SMILES	CC1(C)C(C)(C)OB(C2=CC=CC(C64C5=C(C7=C6C=CC=C7)C=CC=C5)=C2C3=C4C=CC=C3)O1
Synonyms	2-(9,9'-Spirobi[fluoren]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1161009-89-7, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene], SCHEMBL6128531, KS-00000TL9, MFCD30187275, ZINC204936465, AK542399, DS-19142, S0994, (9,9'-Spirobi[fluoren]-4-yl)boronic Acid Pinacol Ester, 4,4,5,5-tetramethyl-2-(9,9'-spirobi[9H-fluoren]-4-yl)-1,3,2-dioxaborolane, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-9,9'-spirobi[9H-fluorene], 1421789-05-0,

Complexity	752
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	442.21g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	442.365g/mol
Monoisotopic Mass	442.21g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^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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