AG004TYY

871126-22-6 | 2-Fluoro-4-formylphenylboronic Acid

AG004TYY

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CAS Number	871126-22-6
Catalog Number	AG004TYY(AGN-PC-00UQSW)
Chemical Name	2-Fluoro-4-formylphenylboronic Acid
IUPAC Name	(2-fluoro-4-formylphenyl)boronic acid
InChI	InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H
InChI Key	OAEJODVYVOAOPH-UHFFFAOYSA-N
MDL Number	MFCD07367058
Molecular Formula	C7H6BFO3
Molecular Weight	167.9301
SMILES	O=CC1=CC=C(B(O)O)C(F)=C1
Synonyms	2-Fluoro-4-formylphenylboronic acid, 871126-22-6, (2-Fluoro-4-formylphenyl)boronic acid, 2-FLUORO-4-FORMYLBENZENEBORONIC ACID, AK-54287, BORONIC ACID, B-(2-FLUORO-4-FORMYLPHENYL)-, ACMC-209qf8, SCHEMBL839771, CTK5F7837, DTXSID00584714, OAEJODVYVOAOPH-UHFFFAOYSA-N, KS-000011HG, ANW-38514, MFCD07367058, 2-Fluoro-4-formylphenyl boronic acid, AKOS015854393, ZINC169747952, AB31110, AM85132, FCH1122839, RL05413, RP02540, RTR-027176, TRA0054781, AS-31255, BC001245, BP-11445, PC408013, SC-13609, SY027920, AB0029269, AX8215693, Boronic acid,B-(2-fluoro-4-formylphenyl)-, F1079, ST24033902, X1410, MFCD07367058 (95%), B-5145, 2-Fluoro-4-formylphenylboronic acid, >=95.0%, B-(2-FLUORO-4-FORMYLPHENYL)-BORONIC ACID, I04-2791, J-509399, 2-Fluoro-4-formylphenylboronic Acid (contains varying amounts of Anhydride), C7H6BFO3, 2-Fluoro-5-methoxyphenylboronic acid, (2-Fluoro-4-formylphenyl)boronicacid, ACN-044211, 406482-19-7,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.93g/mol
Monoisotopic Mass	168.039g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^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

Certificate of Analysis

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