AG000VEB

1310403-94-1 | Boronic acid, B-(4-ethoxy-2,6-difluorophenyl)-

AG000VEB

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CAS Number	1310403-94-1
Catalog Number	AG000VEB(AGN-PC-078TCQ)
Chemical Name	Boronic acid, B-(4-ethoxy-2,6-difluorophenyl)-
IUPAC Name	(4-ethoxy-2,6-difluorophenyl)boronic acid
InChI	InChI=1S/C8H9BF2O3/c1-2-14-5-3-6(10)8(9(12)13)7(11)4-5/h3-4,12-13H,2H2,1H3
InChI Key	MCHIBZJJQDCWMG-UHFFFAOYSA-N
MDL Number	MFCD12026735
Molecular Formula	C8H9BF2O3
Molecular Weight	201.9631
SMILES	FC1=C(B(O)O)C(F)=CC(OCC)=C1
Synonyms	1310403-94-1, (4-Ethoxy-2,6-difluorophenyl)boronic acid, 2,6-Difluoro-4-ethoxyphenylboronic acid, 4-Ethoxy-2,6-difluorophenylboronic acid, MFCD12026735, SCHEMBL15872825, CTK6G1292, DTXSID20659357, AKOS015838833, ZINC169748070, FCH1409454, KS-00000J76, AK-62345, BC001149, DS-15000, AB0042200, AX8197155, DB-010333, TR-057649, ST24034677, Z0065, Q-7781, Boronic acid, B-(4-ethoxy-2,6-difluorophenyl)-, I04-0635, C8H9BF2O3, (4-Ethoxy-2,6-difluorophenyl)boronicacid, 4-ethoxy-2,6-difluorophenylboronic acid, 95% - 1G 1g,

Complexity	170
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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number