AG0033B0

603122-84-5 | 2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID

AG0033B0

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CAS Number	603122-84-5
Catalog Number	AG0033B0(AGN-PC-04S264)
Chemical Name	2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID
IUPAC Name	(2-fluoro-4-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
InChI Key	BKWRLCIYMAYFPA-UHFFFAOYSA-N
MDL Number	MFCD08436034
Molecular Formula	C8H8BFO4
Molecular Weight	197.9561
SMILES	O=C(OC)c1ccc(B(O)O)c(F)c1
Synonyms	603122-84-5, 2-Fluoro-4-(methoxycarbonyl)phenylboronic acid, 2-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID, 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid, (2-fluoro-4-(methoxycarbonyl)phenyl)boronic acid, 4-(methoxycarbonyl)-2-fluorophenylboronic acid, Methyl 4-borono-3-fluorobenzoate, [2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid, MFCD08436034, AK-45721, O-fluoro p-methoxy carbonyl phenyl boronic acid, 2-Fluoro-4-methoxycarbonylphenylboronic acid, 98%, PubChem17434, ACMC-209mj4, SCHEMBL362782, CTK5B1315, DTXSID30647604, BKWRLCIYMAYFPA-UHFFFAOYSA-N, KS-00000AS0, ZX-AP000323, ANW-33470, CF-590, FCH921606, PC3537, SBB092227, AKOS006346251, ZINC169745429, CS-W000952, RP04135, RTR-020846, TRA0030315, AN-27736, AS-14923, AT-33899, BC000983, N188, QC-10935, SC-65691, SY024016, AB0015610, AX8074831, DB-010424, TR-020846, 4CH-003085, AM20040818, F1071, FT-0678856, ST24040592, 2-Fluoro-4-(methoxycarbonyl)phenylboronicAcid, 2-fluoro-4-methoxycarbonyl-phenylboronic acid, (2-fluoro-4-methoxycarbonylphenyl)boronic acid, C-1892, (2-fluoro-4-methoxycarbonyl-phenyl)boronic acid, MFCD08436034 (97+%), (2-fluoranyl-4-methoxycarbonyl-phenyl)boronic acid, (2-fluoro-4-(methoxy carbonyl)phenyl)boronic acid, 122F845, A832685, Benzoic acid,4-borono-3-fluoro-, 1-methyl ester, J-513761, 2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONICACID, 3-Fluoro-4-(dihydroxyboryl)benzoic acid methyl ester, 2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), C8H8BFO4, ACN-034237,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.05g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.956g/mol
Monoisotopic Mass	198.05g/mol
Rotatable Bond Count	3
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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