AG008Y16

1143576-84-4 | 4-(10-Phenylanthracen-9-yl)phenylboronic Acid Pinacol Ester

AG008Y16

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CAS Number	1143576-84-4
Catalog Number	AG008Y16(AGN-PC-0WNHC3)
Chemical Name	4-(10-Phenylanthracen-9-yl)phenylboronic Acid Pinacol Ester
IUPAC Name	4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
InChI	InChI=1S/C32H29BO2/c1-31(2)32(3,4)35-33(34-31)24-20-18-23(19-21-24)30-27-16-10-8-14-25(27)29(22-12-6-5-7-13-22)26-15-9-11-17-28(26)30/h5-21H,1-4H3
InChI Key	MLLYTNZYCPAKPU-UHFFFAOYSA-N
MDL Number	MFCD28975121
Molecular Formula	C32H29BO2
Molecular Weight	456.3825
SMILES	CC1(OB(OC1(C)C)C1=CC=C(C=C1)C=1C2=CC=CC=C2C(=C2C=CC=CC12)C1=CC=CC=C1)C
Synonyms	1143576-84-4, 4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane, 4-(10-Phenylanthracen-9-yl)phenylboronic Acid Pinacol Ester, 4,4,5,5-tetramethyl-2-[4-(10-phenyl-9-anthracenyl)phenyl]-1,3 2-dioxaborolane, SCHEMBL1509154, MFCD28975121, ZINC202539360, 4,4,5,5-Tetramethyl-2-[4-(10-phenyl-9-anthracenyl)phenyl]-1,3,2-dioxaborolane, 9-Phenyl-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracene, T3276,

Complexity	679
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	456.226g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	456.392g/mol
Monoisotopic Mass	456.226g/mol
Rotatable Bond Count	3
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	\N
Hazard statements	H315-H319
Packing Group	\N
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code	\N

Certificate of Analysis

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