AG00D8DF

468718-30-1 | 5-Cyano-2-fluorobenzeneboronic acid

AG00D8DF

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CAS Number	468718-30-1
Catalog Number	AG00D8DF(AGN-PC-0KL2AX)
Chemical Name	5-Cyano-2-fluorobenzeneboronic acid
IUPAC Name	(5-cyano-2-fluorophenyl)boronic acid
InChI	InChI=1S/C7H5BFNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,11-12H
InChI Key	ITCSMTHUTFTXLE-UHFFFAOYSA-N
MDL Number	MFCD03095147
Molecular Formula	C7H5BFNO2
Molecular Weight	164.9295
SMILES	OB(C1=CC(C#N)=CC=C1F)O
Synonyms	468718-30-1, 5-Cyano-2-Fluorobenzeneboronic Acid, 5-CYANO-2-FLUOROPHENYLBORONIC ACID, (5-cyano-2-fluorophenyl)boronic acid, (5-cyano-2-fluoro-phenyl)boronic Acid, 3-Borono-4-fluorobenzonitrile, BORONIC ACID, (5-CYANO-2-FLUOROPHENYL)-, AK-26961, MFCD03095147, 5-Cyano-2-fluorophenylboronic acid, 97%, 5-Cyano-2-fluorobenzeneboronicacid, PubChem1807, PubChem7788, AC1MD4CW, ACMC-1APK5, SCHEMBL473896, AC1Q714B, CTK4I9615, DTXSID10382607, ITCSMTHUTFTXLE-UHFFFAOYSA-N, PC062, ACT02220, KS-00000L8D, ZX-AP001863, 2-fluoro-5-cyanophenyl boronic acid, 5-cyano-2-fluoro-phenylboronic acid, ANW-30471, FCH918977, SBB064186, AKOS004113986, ZINC169743437, AB13530, CS-W008697, PS-9478, RL03738, RP02392, RTR-017441, TRA0172976, AN-28215, BC001046, BR-26961, CC-21667, N275, SC-58391, AB0015670, AX8004282, Boronic acid,B-(5-cyano-2-fluorophenyl)-, DB-025190, ST2418752, TR-017441, FT-0644707, B-3547, 718C301, C-04546, BORONIC ACID, B-(5-CYANO-2-FLUOROPHENYL)-, J-517430, 5-Cyano-2-fluorophenylboronic Acid (contains varying amounts of Anhydride), C7H5BFNO2, cc-668, CID2783361, A7251, C3227, Boronic acid, (5-cyano-2-fluorophenyl)- (9CI), 5-Cyano-2-fluorobenzeneboronic acid, 98% - 1G 1g,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.93g/mol
Monoisotopic Mass	165.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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