AG003IZR

849052-24-0 | (3-Bromo-2-((3-methoxybenzyl)oxy)phenyl)boronic acid

AG003IZR

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CAS Number	849052-24-0
Catalog Number	AG003IZR(AGN-PC-0UV8Y0)
Chemical Name	(3-Bromo-2-((3-methoxybenzyl)oxy)phenyl)boronic acid
IUPAC Name	[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]boronic acid
InChI	InChI=1S/C14H14BBrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8,17-18H,9H2,1H3
InChI Key	JNPYQBOHAURAQI-UHFFFAOYSA-N
MDL Number	MFCD06411374
Molecular Formula	C14H14BBrO4
Molecular Weight	336.9736
SMILES	COC1=CC(COC2=C(Br)C=CC=C2B(O)O)=CC=C1
Synonyms	849052-24-0, 3-Bromo-2-(3'-methoxybenzyloxy)phenylboronic acid, (3-Bromo-2-((3-methoxybenzyl)oxy)phenyl)boronic acid, 3-Bromo-2-(3-methoxybenzyloxy)phenylboronic acid, C14H14BBrO4, SCHEMBL9905525, CTK8B2414, DTXSID70584589, ANW-37882, MFCD06411374, AKOS015888891, ZINC169877220, AB25296, RTR-026285, OR360791, AX8280849, X2314, A-4693, 3-BROMO-2-(3'-METHOXYBENZYLOXY)PHENYLBO&, I01-16371, {3-Bromo-2-[(3-methoxyphenyl)methoxy]phenyl}boronic acid, 3-Bromo-2-(3 inverted exclamation marka-methoxybenzyloxy)phenylboronic acid,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	336.017g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	336.976g/mol
Monoisotopic Mass	336.017g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.9A^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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