AG003JZE

849052-15-9 | (4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid

AG003JZE

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CAS Number	849052-15-9
Catalog Number	AG003JZE(AGN-PC-0UV8SS)
Chemical Name	(4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
IUPAC Name	[4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI	InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8,18-19H,9H2,1-2H3
InChI Key	UDKYOMYSPIEDTK-UHFFFAOYSA-N
MDL Number	MFCD06411361
Molecular Formula	C15H16BClO3
Molecular Weight	290.5497
SMILES	CC1=C(OCC2=CC=CC=C2Cl)C(C)=CC(B(O)O)=C1
Synonyms	849052-15-9, 4-(2'-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid, (4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid, 4-(2-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid, SCHEMBL257761, CTK8B2408, DTXSID00584496, ANW-37873, MFCD06411361, AKOS015888911, ZINC169877202, AB25270, RTR-026276, OR360900, AX8280846, X2305, B-4261, I01-16356, {4-[(2-Chlorophenyl)methoxy]-3,5-dimethylphenyl}boronic acid, 4-(2 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-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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