AG007ERY

1072951-94-0 | 3,5-Dimethyl-4-(3',5'-dimethoxybenzyloxy)phenylboronic acid

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CAS Number	1072951-94-0
Catalog Number	AG007ERY(AGN-PC-0BIQYI)
Chemical Name	3,5-Dimethyl-4-(3',5'-dimethoxybenzyloxy)phenylboronic acid
IUPAC Name	[4-[(3,5-dimethoxyphenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI	InChI=1S/C17H21BO5/c1-11-5-14(18(19)20)6-12(2)17(11)23-10-13-7-15(21-3)9-16(8-13)22-4/h5-9,19-20H,10H2,1-4H3
InChI Key	VZHFHGUMGVBYBU-UHFFFAOYSA-N
MDL Number	MFCD22421632
Molecular Formula	C17H21BO5
Molecular Weight	316.1566
SMILES	CC1=C(OCC2=CC(OC)=CC(OC)=C2)C(C)=CC(B(O)O)=C1
Synonyms	1072951-94-0, (4-((3,5-Dimethoxybenzyl)oxy)-3,5-dimethylphenyl)boronic acid, 3,5-Dimethyl-4-(3,5-dimethoxybenzyloxy)phenylboronic acid, SCHEMBL9893631, C17H21BO5, CTK8A9156, DTXSID60718654, ANW-15718, AKOS015888903, ZINC169746470, OR360399, AX8230772, TC-104463, Z7094, I01-16353, {4-[(3,5-Dimethoxyphenyl)methoxy]-3,5-dimethylphenyl}boronic acid, 3,5-Dimethyl-4-(3',5'-dimethoxybenzyloxy)phenylboronic acid,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.148g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	316.16g/mol
Monoisotopic Mass	316.148g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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