AG003IZQ

849062-40-4 | (3-Bromo-2-((3-fluorobenzyl)oxy)-5-methylphenyl)boronic acid

AG003IZQ

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CAS Number	849062-40-4
Catalog Number	AG003IZQ(AGN-PC-0UV8XP)
Chemical Name	(3-Bromo-2-((3-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
IUPAC Name	[3-bromo-2-[(3-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI	InChI=1S/C14H13BBrFO3/c1-9-5-12(15(18)19)14(13(16)6-9)20-8-10-3-2-4-11(17)7-10/h2-7,18-19H,8H2,1H3
InChI Key	NOUJKVHYFUPYNQ-UHFFFAOYSA-N
MDL Number	MFCD06411359
Molecular Formula	C14H13BBrFO3
Molecular Weight	338.9646
SMILES	CC1=CC(Br)=C(OCC2=CC=CC(F)=C2)C(B(O)O)=C1
Synonyms	849062-40-4, 3-Bromo-2-(3'-fluorobenzyloxy)-5-methylphenylboronic acid, (3-BROMO-2-((3-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID, 3-Bromo-2-(3-fluorobenzyloxy)-5-methylphenylboronic acid, SCHEMBL9893782, CTK8B2435, DTXSID80584494, ANW-37922, MFCD06411359, AKOS015888503, ZINC169877195, AB25265, RTR-026328, PC412245, X2350, A-4645, 3-BROMO-2-(3'-FLUOROBENZYLOXY)-5-METHYL&, I01-11440, {3-Bromo-2-[(3-fluorophenyl)methoxy]-5-methylphenyl}boronic acid, 3-Bromo-2-(3 inverted exclamation marka-fluorobenzyloxy)-5-methylphenylboronic acid, C14H13BBrFO3, 3-BROMO-2- -5-METHYL&,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.013g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	338.967g/mol
Monoisotopic Mass	338.013g/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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