AG004MVM

874288-38-7 | 4-(Ethoxycarbonyl)-3-fluorophenylboronic acid

AG004MVM

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CAS Number	874288-38-7
Catalog Number	AG004MVM(AGN-PC-0KKPE2)
Chemical Name	4-(Ethoxycarbonyl)-3-fluorophenylboronic acid
IUPAC Name	(4-ethoxycarbonyl-3-fluorophenyl)boronic acid
InChI	InChI=1S/C9H10BFO4/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,13-14H,2H2,1H3
InChI Key	CXSPPZZTTSHTMP-UHFFFAOYSA-N
MDL Number	MFCD06656274
Molecular Formula	C9H10BFO4
Molecular Weight	211.9827
SMILES	FC1=C(C(OCC)=O)C=CC(B(O)O)=C1
Synonyms	874288-38-7, 4-Ethoxycarbonyl-3-fluorophenylboronic acid, 4-(Ethoxycarbonyl)-3-fluorophenylboronic acid, 4-(Ethoxycarbonyl)-3-fluorobenzeneboronic acid, Ethyl 4-borono-2-fluorobenzoate, (4-ethoxycarbonyl-3-fluorophenyl)boronic acid, MFCD06656274, (4-ethoxycarbonyl-3-fluoro-phenyl)boronic Acid, AK-45948, [4-(ethoxycarbonyl)-3-fluorophenyl]boronic acid, 4-Ethoxycarbonyl-3-fluorophenylboronicacid, ACMC-209qm0, AC1MC80G, SCHEMBL763540, CTK5F8404, KS-00000NEZ, DTXSID00376838, CXSPPZZTTSHTMP-UHFFFAOYSA-N, ZX-AP000457, ANW-38758, CE-177, PC2999, SBB094567, AKOS015838794, ZINC169745444, AB25509, AM87333, E2236G1, RP09364, RTR-038796, AN-26758, AS-18759, AT-33876, BC001033, AB0029299, AB1004743, AX8008288, DB-028432, TR-038796, E1207, FT-0694852, ST24043700, X1441, 3-fluoro-4-(ethoxycarbonyl)phenylboronic acid, B-5499, Benzoic acid,4-borono-2-fluoro-, 1-ethyl ester, (4-ethoxycarbonyl-3-fluoranyl-phenyl)boronic acid, 288E387, 3-FLUORO-4-ETHOXYCARBONYLPHENYLBORONIC ACID, 4-(ethoxycarbonyl)-3-fluorobenzeneboronicacid95%, A842174, 4-(ethoxycarbonyl)-3-fluorobenzeneboronic acid 95%, I01-7937, J-515275, 4-BORONO-2-FLUORO-BENZOIC ACID, 1-ETHYL ESTER, BENZOIC ACID, 4-BORONO-2-FLUORO-, 1-ETHYL ESTER, 4-(Ethoxycarbonyl)-3-fluorophenylboronic Acid (contains varying amounts of Anhydride), C9H10BFO4, ACN-042718, CID2763245,

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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