AG004PUR

849062-00-6 | 2,6-Difluoro-3-ethoxyphenylboronic acid

AG004PUR

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CAS Number	849062-00-6
Catalog Number	AG004PUR(AGN-PC-00UQPG)
Chemical Name	2,6-Difluoro-3-ethoxyphenylboronic acid
IUPAC Name	(3-ethoxy-2,6-difluorophenyl)boronic acid
InChI	InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key	XNCPAOSJJNRPHW-UHFFFAOYSA-N
MDL Number	MFCD07369735
Molecular Formula	C8H9BF2O3
Molecular Weight	201.9631
SMILES	OB(C1=C(F)C=CC(OCC)=C1F)O
Synonyms	2,6-Difluoro-3-ethoxyphenylboronic acid, 849062-00-6, 3-ETHOXY-2,6-DIFLUOROPHENYLBORONIC ACID, (3-ethoxy-2,6-difluorophenyl)boronic acid, 2,6-DIFLUORO-3-ETHOXYBENZENEBORONIC ACID, 2,6-Difluoro-5-ethoxyphenylboronic acid, ACMC-209pxs, SCHEMBL1069183, CTK3I9586, DTXSID10584629, XNCPAOSJJNRPHW-UHFFFAOYSA-N, KS-000018AW, ZX-AP009116, ANW-37886, MFCD07369735, PC7272, SBB071163, AKOS015838723, ZINC169747979, AB32186, CD-1088, FCH1323662, RL05224, RTR-026291, TRA0068542, VB10214, 2,6-Difluoro-3-ethoxybenzeneboronicacid, 2,6-difluoro-3-ethoxyphenyl-boronic acid, 3-ethoxy-2,6-difluoro-phenylboronic acid, 3-Ethoxy-2,6-difluorobenzeneboronic Acid, AK-45580, AS-55596, BC001219, SC-53471, 2,6-difluoro-3-ethoxybenzeneboronicacid98%, AX8068258, DB-010331, TR-026291, FT-0655163, ST24038839, V1842, 2,6-difluoro-3-ethoxybenzeneboronic acid 98%, B-5075, [3-ethoxy-2,6-bis(fluoranyl)phenyl]boronic acid, Boronic acid,B-(3-ethoxy-2,6-difluorophenyl)-, 062D006, A841002, I04-0632, J-507464, B-(3-ETHOXY-2,6-DIFLUOROPHENYL)-BORONIC ACID, BORONIC ACID, B-(3-ETHOXY-2,6-DIFLUOROPHENYL)-, 3-Ethoxy-2,6-difluorophenylboronic Acid (contains varying amounts of Anhydride), C8H9BF2O3, 2,6-Difluoro-3-methoxyphenylboronic acid, E1210,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.061g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	201.964g/mol
Monoisotopic Mass	202.061g/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	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number