AG003J7P

849062-39-1 | (3-chloro-4-((4-fluorobenzyl)oxy)phenyl)boronic acid

AG003J7P

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CAS Number	849062-39-1
Catalog Number	AG003J7P(AGN-PC-0UV8X5)
Chemical Name	(3-chloro-4-((4-fluorobenzyl)oxy)phenyl)boronic acid
IUPAC Name	[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI	InChI=1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2
InChI Key	GLLLLVYDIZNTKE-UHFFFAOYSA-N
MDL Number	MFCD06411358
Molecular Formula	C13H11BClFO3
Molecular Weight	280.4870
SMILES	FC1=CC=C(C=C1)COC2=CC=C(B(O)O)C=C2Cl
Synonyms	849062-39-1, 3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid, (3-CHLORO-4-((4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID, 3-Chloro-4-(4-fluorobenzyloxy)phenylboronic acid, SCHEMBL12260343, CTK8B2434, DTXSID60584492, ANW-37921, MFCD06411358, AKOS015888506, ZINC169877191, AB25262, RTR-026327, BP-12129, PC412296, X2349, B-4518, 3-CHLORO-4-(4'-FLUOROBENZYLOXY)PHENYLBO&, I01-11443, {3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl}boronic acid, 3-Chloro-4-(4 inverted exclamation marka-fluorobenzyloxy)phenylboronic acid, C13H11BClFO3,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.047g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	280.486g/mol
Monoisotopic Mass	280.047g/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

Certificate of Analysis

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