AG003K0Y

849062-21-1 | (4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid

AG003K0Y

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CAS Number	849062-21-1
Catalog Number	AG003K0Y(AGN-PC-0UV8MI)
Chemical Name	(4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
IUPAC Name	[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI	InChI=1S/C15H16BClO3/c1-10-6-13(16(18)19)7-11(2)15(10)20-9-12-4-3-5-14(17)8-12/h3-8,18-19H,9H2,1-2H3
InChI Key	FSGQMHRYHYNMCX-UHFFFAOYSA-N
MDL Number	MFCD00017425
Molecular Formula	C15H16BClO3
Molecular Weight	290.5497
SMILES	CC1=C(OCC2=CC=CC(Cl)=C2)C(C)=CC(B(O)O)=C1
Synonyms	849062-21-1, 4-(3'-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid, (4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid, 4-(3-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid, SCHEMBL257845, CTK8B2425, DTXSID60584497, ANW-37905, MFCD06411362, AKOS015888910, ZINC169877205, AB25271, RTR-026311, OR360901, X2334, B-4517, 4-(3'-CHLOROBENZYLOXY)-3,5-DIMETHYLPHEN&, I01-16355, {4-[(3-Chlorophenyl)methoxy]-3,5-dimethylphenyl}boronic acid, 4-(3 inverted exclamation marka-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid, C15H16BClO3, 4- -3,5-DIMETHYLPHEN&,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.088g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	290.55g/mol
Monoisotopic Mass	290.088g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.7A^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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