AG004MXW

874219-60-0 | 5-Ethoxycarbonyl-2-fluorophenylboronic acid

AG004MXW

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CAS Number	874219-60-0
Catalog Number	AG004MXW(AGN-PC-0VDF30)
Chemical Name	5-Ethoxycarbonyl-2-fluorophenylboronic acid
IUPAC Name	(5-ethoxycarbonyl-2-fluorophenyl)boronic acid
InChI	InChI=1S/C9H10BFO4/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key	QXIIYFKTSGJTNE-UHFFFAOYSA-N
MDL Number	MFCD08235094
Molecular Formula	C9H10BFO4
Molecular Weight	211.9827
SMILES	FC1=CC=C(C(OCC)=O)C=C1B(O)O
Synonyms	874219-60-0, (5-(Ethoxycarbonyl)-2-fluorophenyl)boronic acid, 5-Ethoxycarbonyl-2-fluorophenylboronic acid, 3-Borono-4-fluorobenzoic acid ethyl ester, 5-(Ethoxycarbonyl)-2-fluorobenzeneboronic acid, 2-Fluoro-5-ethoxycarbonylphenylboronic acid, 5-(ethoxycarbonyl)-2-fluorophenylboronic acid, Ethyl 3-borono-4-fluorobenzoate, MFCD08235094, Benzoic acid,3-borono-4-fluoro-, 1-ethyl ester (9CI), [5-(ethoxycarbonyl)-2-fluorophenyl]boronic acid, ACMC-209qlk, SCHEMBL15067045, CTK5F8382, DTXSID30660252, QXIIYFKTSGJTNE-UHFFFAOYSA-N, ZX-AP011429, ANW-38742, PC5109, SBB094563, AKOS015838804, ZINC169745141, RTR-027398, VZ26383, BC001252, CC-14318, AX8006577, DB-022296, TR-027398, E1209, FT-0645009, V8447, B-5763, C-11049, I04-2107, 5-(Ethoxycarbonyl)-2-fluorophenylboronic Acid (contains varying amounts of Anhydride), C9H10BFO4, ACN-042719, (5-ethoxycarbonyl-2-fluorophenyl)boronic acid, 2-FLUORO-5-(ETHOXYCARBONYL)BENZENE BORONIC ACID,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.066g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	211.983g/mol
Monoisotopic Mass	212.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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