AG00IJDL

957062-67-8 | Boronic acid,B-[2-chloro-6-fluoro-3-(phenylmethoxy)phenyl]-

AG00IJDL

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CAS Number	957062-67-8
Catalog Number	AG00IJDL(AGN-PC-0W5CC8)
Chemical Name	Boronic acid,B-[2-chloro-6-fluoro-3-(phenylmethoxy)phenyl]-
IUPAC Name	(2-chloro-6-fluoro-3-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H11BClFO3/c15-13-11(7-6-10(16)12(13)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key	LXIZYHYNGUDZKO-UHFFFAOYSA-N
MDL Number	MFCD09878328
Molecular Formula	C13H11BClFO3
Molecular Weight	280.4870
SMILES	OB(C1=C(F)C=CC(OCC2=CC=CC=C2)=C1Cl)O
Synonyms	3-BENZYLOXY-2-CHLORO-6-FLUOROPHENYLBORONIC ACID, 957062-67-8, 3-(benzyloxy)-2-chloro-6-fluorophenylboronic acid, 2-Chloro-3-benzyloxy-6-fluorophenylboronic acid, 3-(Benzyloxy)-2-chloro-6-fluorophenylboronicacid, Boronic acid,B-[2-chloro-6-fluoro-3-(phenylmethoxy)phenyl]-, (3-(benzyloxy)-2-chloro-6-fluorophenyl)boronic acid, [3-(Benzyloxy)-2-chloro-6-fluorophenyl]boronic acid, ACMC-209s2a, CTK5H8037, DTXSID80659378, ANW-40640, AKOS015839336, ZINC169747983, CB-1615, RL06039, RTR-029936, VB10028, AK-45858, BC001281, DS-13666, PC412115, AB0029332, AX8080468, DB-028367, TR-029936, CS-0038982, FT-0658226, ST24041797, X1474, B-5387, 062B678, A845403, (3-benzyloxy-2-chloro-6-fluoro-phenyl)boronic acid, I04-0722, J-511761, (2-chloro-6-fluoro-3-phenylmethoxyphenyl)boronic acid, 3-benzyloxy-2-chloro-6-fluorophenylboronic acid, AldrichCPR, (2-chloranyl-6-fluoranyl-3-phenylmethoxy-phenyl)boronic acid, C13H11BClFO3,

Complexity	277
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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