AG005YD7

957120-93-3 | 2-Chloro-3-ethoxy-6-fluorophenylboronic acid

AG005YD7

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CAS Number	957120-93-3
Catalog Number	AG005YD7(AGN-PC-078TDC)
Chemical Name	2-Chloro-3-ethoxy-6-fluorophenylboronic acid
IUPAC Name	(2-chloro-3-ethoxy-6-fluorophenyl)boronic acid
InChI	InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(11)7(8(6)10)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key	OYOREJXDXHCMPQ-UHFFFAOYSA-N
MDL Number	MFCD09800880
Molecular Formula	C8H9BClFO3
Molecular Weight	218.4177
SMILES	OB(C1=C(F)C=CC(OCC)=C1Cl)O
Synonyms	2-CHLORO-3-ETHOXY-6-FLUOROPHENYLBORONIC ACID, 957120-93-3, (2-chloro-3-ethoxy-6-fluorophenyl)boronic acid, 2-chloro-3-ethoxy-6-fluorobenzeneboronic acid, 2-Chloro-3-ethoxy-6-fluorophenylboronicacid, AK-40475, ACMC-209s4f, CTK5H8108, DTXSID10659366, OYOREJXDXHCMPQ-UHFFFAOYSA-N, KS-000024OL, SYNQUEST 6660-7-01, ZX-AP000240, 3-Borono-2-chloro-4-fluorophenetole, ANW-40717, CC-939, MFCD09800880, PC8097, SBB071193, AKOS015849994, ZINC169747408, DS-2405, FCH1327176, RL06052, RTR-030037, BC001295, SC-53691, AB0056439, AX8161613, DB-010367, ST2404303, TR-030037, 4CH-017692, CS-0038631, FT-0655487, V9821, 3-Borono-2-chloro-4-fluorophenyl ethyl ether, B-1226, Z-2916, (2-chloro-3-ethoxy-6-fluoro-phenyl)boronic acid, 120C933, A845432, I04-0671, J-508642, (2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)boronic acid, B-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)-BORONIC ACID, BORONIC ACID, B-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)-, C8H9BClFO3,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.415g/mol
Monoisotopic Mass	218.032g/mol
Rotatable Bond Count	3
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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