AG003BVK

871125-72-3 | 4-Ethoxy-2,3,5,6-tetrafluorophenylboronic acid

AG003BVK

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CAS Number	871125-72-3
Catalog Number	AG003BVK(AGN-PC-00UQST)
Chemical Name	4-Ethoxy-2,3,5,6-tetrafluorophenylboronic acid
IUPAC Name	(4-ethoxy-2,3,5,6-tetrafluorophenyl)boronic acid
InChI	InChI=1S/C8H7BF4O3/c1-2-16-8-6(12)4(10)3(9(14)15)5(11)7(8)13/h14-15H,2H2,1H3
InChI Key	IPNVLSNRALXTDR-UHFFFAOYSA-N
MDL Number	MFCD07784385
Molecular Formula	C8H7BF4O3
Molecular Weight	237.9440
SMILES	FC1=C(B(O)O)C(F)=C(F)C(OCC)=C1F
Synonyms	871125-72-3, (4-ethoxy-2,3,5,6-tetrafluorophenyl)boronic acid, 4-Ethoxy-2,3,5,6-tetrafluorophenylboronic acid, 4-Ethoxy-2,3,5,6-tetrafluorobenzeneboronic acid, ACMC-209qeo, SCHEMBL2558773, CTK5F7820, DTXSID20584711, ZX-AP007131, ANW-38494, KM2480, MFCD07784385, PC1922, SBB098869, AKOS015838855, ZINC169806948, RTR-027158, BP-12121, AX8232739, TR-027158, X2575, A841958, I04-2119, Boronic acid,B-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-, [4-ethoxy-2,3,5,6-tetrakis(fluoranyl)phenyl]boronic acid, C8H7BF4O3, (4-Ethoxy-2,3,5,6-tetrafluorophenyl)boronicacid, 4-ETHOXY-2,3,5,6-TETRAFLUOROBENZENEBORONICACID,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.042g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	237.945g/mol
Monoisotopic Mass	238.042g/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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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