AG004MY1

874219-36-0 | (3-Ethoxycarbonyl-4-fluorophenyl)boronic acid

AG004MY1

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CAS Number	874219-36-0
Catalog Number	AG004MY1(AGN-PC-04TKR0)
Chemical Name	(3-Ethoxycarbonyl-4-fluorophenyl)boronic acid
IUPAC Name	(3-ethoxycarbonyl-4-fluorophenyl)boronic acid
InChI	InChI=1S/C9H10BFO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChI Key	YCXMTPOFCTUKTB-UHFFFAOYSA-N
MDL Number	MFCD08061836
Molecular Formula	C9H10BFO4
Molecular Weight	211.9827
SMILES	B(c1ccc(c(c1)C(=O)OCC)F)(O)O
Synonyms	874219-36-0, 3-ETHOXYCARBONYL-4-FLUOROPHENYLBORONIC ACID, (3-ethoxycarbonyl-4-fluorophenyl)boronic acid, (3-(ethoxycarbonyl)-4-fluorophenyl)boronic acid, 3-(Ethoxycarbonyl)-4-fluorobenzeneboronic acid, [3-(ethoxycarbonyl)-4-fluorophenyl]boronic acid, AK-36645, 3-(ethoxycarbonyl)-4-fluorophenylboronic acid, 3-Ethoxycarbonyl-4-fluorophenylboronic acid, 95%, ACMC-209ql0, KSC495S8R, SCHEMBL473842, CTK3J5988, KS-00000MLH, DTXSID60647879, YCXMTPOFCTUKTB-UHFFFAOYSA-N, ZX-AP011600, ANW-38722, CE-173, MFCD08061836, PC5013, SBB094566, AKOS015838802, ZINC169743673, CS-W004016, DS-0916, LS11008, RTR-027379, VB10453, BC001006, BR-36645, CC-00555, 4-fluoro-3-ethoxycarbonylphenylboronic acid, AB0029293, AX8006576, DB-005506, ST2414272, TR-027379, (3-Ethoxycarbonyl-4-fluorophenyl)boronicacid, 3-ethoxycarbonyl-4-fluoro-phenylboronic acid, 4CH-001223, AM20050345, E1187, FT-0645004, X1435, 4-fluoro-3-(ethoxycarbonyl)phenylboronic acid, B-5550, F10146, (3-ethoxycarbonyl-4-fluoranyl-phenyl)boronic acid, 3-(ethoxy carbonyl)-4-fluoro phenyl boronic acid, A842153, C-11048, I04-2103, 5-BORONO-2-FLUORO-BENZOIC ACID, 1-ETHYL ESTER, Benzoicacid, 5-borono-2-fluoro-, 1-ethyl ester (9CI), BENZOIC ACID, 5-BORONO-2-FLUORO-, 1-ETHYL ESTER, 3-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride), C9H10BFO4, Ethyl 5-borono-2-fluorobenzoate, ACN-032798, 3-ETHOXYCARBONYL-4-FLUOROPHENYLBORONICACID,

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

Lot Number