AG004PUP

849062-32-4 | (2-((3-Chlorobenzyl)oxy)phenyl)boronic acid

AG004PUP

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CAS Number	849062-32-4
Catalog Number	AG004PUP(AGN-PC-00UQK5)
Chemical Name	(2-((3-Chlorobenzyl)oxy)phenyl)boronic acid
IUPAC Name	[2-[(3-chlorophenyl)methoxy]phenyl]boronic acid
InChI	InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
InChI Key	CYKRFBRLRUNSDG-UHFFFAOYSA-N
MDL Number	MFCD06411351
Molecular Formula	C13H12BClO3
Molecular Weight	262.4966
SMILES	ClC1=CC(COC2=CC=CC=C2B(O)O)=CC=C1
Synonyms	849062-32-4, 2-(3'-Chlorobenzyloxy)phenylboronic acid, (2-((3-Chlorobenzyl)oxy)phenyl)boronic acid, 2-(3-Chlorobenzyloxy)phenylboronic acid, {2-[(3-Chlorophenyl)methoxy]phenyl}boronic acid, {2-[(3-chlorobenzyl)oxy]phenyl}boronic acid, SCHEMBL4296968, CHEMBL4081848, CTK8B2431, DTXSID90584485, CYKRFBRLRUNSDG-UHFFFAOYSA-N, ANW-37915, MFCD06411351, AKOS009319448, ZINC169877182, AB25244, RTR-026321, OR360904, AX8261407, X2343, B-4264, I01-16380, 2-(3 inverted exclamation marka-Chlorobenzyloxy)phenylboronic acid, 2- PHENYLBORONICACID, C13H12BClO3,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.057g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	262.496g/mol
Monoisotopic Mass	262.057g/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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