AG00921G

1080632-76-3 | 4-Terphenyl boronic acid pinacol ester

AG00921G

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CAS Number	1080632-76-3
Catalog Number	AG00921G(AGN-PC-0WAMRA)
Chemical Name	4-Terphenyl boronic acid pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-[4-(4-phenylphenyl)phenyl]-1,3,2-dioxaborolane
InChI	InChI=1S/C24H25BO2/c1-23(2)24(3,4)27-25(26-23)22-16-14-21(15-17-22)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-17H,1-4H3
InChI Key	POKQNZPMVVRGTB-UHFFFAOYSA-N
MDL Number	MFCD16294429
Molecular Formula	C24H25BO2
Molecular Weight	356.2651
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(C3=CC=C(C4=CC=CC=C4)C=C3)C=C2)O1
Synonyms	1080632-76-3, 2-([1,1':4',1''-Terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SCHEMBL10021061, KS-00000ORQ, MFCD16294429, 4-terphenyl boronic acid pinacol ester, AKOS022179318, ZINC170024489, AK-50348, DS-15393, p-Terphenyl, 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, [1,1':4',1''-terphenyl]-4-boronic acid pinacol ester,

Complexity	465
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	356.195g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	356.272g/mol
Monoisotopic Mass	356.195g/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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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