AG008GE5

851334-92-4 | 4-Ethoxycarbonyl-2-fluorophenylboronic acid, pinacol ester

AG008GE5

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CAS Number	851334-92-4
Catalog Number	AG008GE5(AGN-PC-03ZL5P)
Chemical Name	4-Ethoxycarbonyl-2-fluorophenylboronic acid, pinacol ester
IUPAC Name	ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI	InChI=1S/C15H20BFO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI Key	ZXSGWPHDXQZIAF-UHFFFAOYSA-N
MDL Number	MFCD19237206
Molecular Formula	C15H20BFO4
Molecular Weight	294.1263
SMILES	O=C(OCC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1
Synonyms	851334-92-4, Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 4-Ethoxycarbonyl-2-fluorophenylboronic acid, pinacol ester, SCHEMBL4817408, CTK8B6417, DTXSID10630897, ANW-53423, MFCD18383988, MFCD19237206, AKOS015999482, ZINC169745823, PC412393, AX8230791, TC-142168, ST24024906, A-2765, 4-Ethoxycarbonyl-2-fluorobenzeneboronic acid pinacol ester, 4-Ethoxycarbonyl-2-fluorobenzeneboronic acid pinacol ester, 97%, Ethyl 3-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoate, Ethyl3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,

Complexity	383
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.144g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.129g/mol
Monoisotopic Mass	294.144g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^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

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