AG0084W9

1072952-52-3 | 2-Fluoro-3-(ethoxycarbonyl)phenylboronic acid

AG0084W9

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CAS Number	1072952-52-3
Catalog Number	AG0084W9(AGN-PC-0786LJ)
Chemical Name	2-Fluoro-3-(ethoxycarbonyl)phenylboronic acid
IUPAC Name	(3-ethoxycarbonyl-2-fluorophenyl)boronic acid
InChI	InChI=1S/C9H10BFO4/c1-2-15-9(12)6-4-3-5-7(8(6)11)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key	KFBWIVWAJRBVCJ-UHFFFAOYSA-N
MDL Number	MFCD08064050
Molecular Formula	C9H10BFO4
Molecular Weight	211.9827
SMILES	CCOC(=O)C1=CC=CC(B(O)O)=C1F
Synonyms	1072952-52-3, (3-(Ethoxycarbonyl)-2-fluorophenyl)boronic acid, 2-Fluoro-3-(ethoxycarbonyl)phenylboronic acid, 3-(ethoxycarbonyl)-2-fluorophenylboronic acid, Ethyl 3-borono-2-fluorobenzoate, [3-(ethoxycarbonyl)-2-fluorophenyl]boronic acid, 2-FLUORO-3-(ETHOXYCARBONYL)BENZENEBORONIC ACID, 3-(Ethoxycarbonyl)-2-fluorobenzeneboronic acid, ACMC-2098ux, SCHEMBL2472995, CTK4A5346, DTXSID10660270, KFBWIVWAJRBVCJ-UHFFFAOYSA-N, ZX-AP000383, ANW-15751, MFCD08064050, PC7035, SBB094565, AKOS015854270, ZINC169744680, AB43528, PS-9555, RTR-001688, BC001677, AX8217861, TR-001688, ST24034270, X1309, 2-Fluoro-3-(ethoxycarbonyl)phenyl boronic acid, A-4788, I04-2811, C9H10BFO4, (3-(Ethoxycarbonyl)-2-fluorophenyl)boronicacid,

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-P305+P351+P338
UN Code

Certificate of Analysis

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