AG003IZO

849062-18-6 | 3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid

AG003IZO

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CAS Number	849062-18-6
Catalog Number	AG003IZO(AGN-PC-0UV8L8)
Chemical Name	3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid
IUPAC Name	[3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI	InChI=1S/C14H13BBrFO3/c1-9-6-11(15(18)19)14(12(16)7-9)20-8-10-4-2-3-5-13(10)17/h2-7,18-19H,8H2,1H3
InChI Key	RJFAJIGWAZAOBQ-UHFFFAOYSA-N
MDL Number	MFCD06798104
Molecular Formula	C14H13BBrFO3
Molecular Weight	338.9646
SMILES	Cc1cc(Br)c(c(c1)B(O)O)OCc1ccccc1F
Synonyms	849062-18-6, 3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid, (3-BROMO-2-((2-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID, 3-Bromo-2-(2-fluorobenzyloxy)-5-methylphenylboronic acid, CTK8B2423, DTXSID20584493, ANW-37902, MFCD06798104, AKOS015888505, ZINC169877192, AB29813, RTR-026308, PC412244, X2331, A-4644, I01-11442, {3-Bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl}boronic acid, 3-Bromo-2-(2 inverted exclamation marka-fluorobenzyloxy)-5-methylphenylboronic acid, C14H13BBrFO3,

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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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