AG003IZS

849062-41-5 | 3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid

AG003IZS

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CAS Number	849062-41-5
Catalog Number	AG003IZS(AGN-PC-0UV8Y8)
Chemical Name	3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid
IUPAC Name	[3-bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI	InChI=1S/C14H13BBrFO3/c1-9-6-12(15(18)19)14(13(16)7-9)20-8-10-2-4-11(17)5-3-10/h2-7,18-19H,8H2,1H3
InChI Key	PMGXFVHJKMZADN-UHFFFAOYSA-N
MDL Number	MFCD06411360
Molecular Formula	C14H13BBrFO3
Molecular Weight	338.9646
SMILES	CC1=CC(Br)=C(OCC2=CC=C(F)C=C2)C(B(O)O)=C1
Synonyms	849062-41-5, 3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid, (3-BROMO-2-((4-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID, 3-Bromo-2-(4-fluorobenzyloxy)-5-methylphenylboronic acid, SCHEMBL9893587, CTK8B2436, DTXSID40584495, ANW-37923, MFCD06411360, AKOS015888500, ZINC169877199, AB25266, RTR-026329, PC412246, X2351, A-4646, 3-BROMO-2-(4'-FLUOROBENZYLOXY)-5-METHYL&, I01-11437, {3-Bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl}boronic acid, 3-Bromo-2-(4 inverted exclamation marka-fluorobenzyloxy)-5-methylphenylboronic acid, C14H13BBrFO3,

Complexity	300
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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