AG004J4M

870779-00-3 | (4-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronic acid

AG004J4M

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CAS Number	870779-00-3
Catalog Number	AG004J4M(AGN-PC-0VAHWD)
Chemical Name	(4-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronic acid
IUPAC Name	[4-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid
InChI	InChI=1S/C16H19BO4/c1-20-11-10-13-4-8-16(9-5-13)21-12-14-2-6-15(7-3-14)17(18)19/h2-9,18-19H,10-12H2,1H3
InChI Key	LZLHTPXZVHZUQB-UHFFFAOYSA-N
MDL Number	MFCD07369748
Molecular Formula	C16H19BO4
Molecular Weight	286.1307
SMILES	COCCC1=CC=C(OCC2=CC=C(B(O)O)C=C2)C=C1
Synonyms	870779-00-3, 4-[(4'-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid, (4-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronic acid, 4-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid, (4-{[4-(2-Methoxyethyl)phenoxy]methyl}phenyl)boronic acid, SCHEMBL2559532, CTK8B2510, DTXSID60584614, ANW-38483, KM2476, MFCD07369748, AKOS010795451, ZINC169877268, AB32210, RTR-027141, ABA-9409434, OR361361, AX8280865, I04-6543, 4-[(4 inverted exclamation marka-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid, 4-((4'- PHENYLBORONICACID, 4-(4'-(2-Methoxyethyl)phenoxy)methylphenylboronic acid,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.138g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	286.134g/mol
Monoisotopic Mass	286.138g/mol
Rotatable Bond Count	7
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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