AG008K98

825644-26-6 | (4-Fluoro-2-formylphenyl)boronic acid

AG008K98

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CAS Number	825644-26-6
Catalog Number	AG008K98(AGN-PC-04XHE2)
Chemical Name	(4-Fluoro-2-formylphenyl)boronic acid
IUPAC Name	(4-fluoro-2-formylphenyl)boronic acid
InChI	InChI=1S/C7H6BFO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
InChI Key	QWUBOCQWTPCPNE-UHFFFAOYSA-N
MDL Number	MFCD10697426
Molecular Formula	C7H6BFO3
Molecular Weight	167.9301
SMILES	OB(C1=CC=C(F)C=C1C=O)O
Synonyms	825644-26-6, (4-Fluoro-2-formylphenyl)boronic acid, 4-Fluoro-2-formylphenylboronic acid, Boronic acid, (4-fluoro-2-formylphenyl)-, 4-Fluoro-2-formylbenzeneboronic acid, AK-67827, ACMC-209ppg, SCHEMBL1873599, CTK3D8294, KS-00000ODO, DTXSID50648976, QWUBOCQWTPCPNE-UHFFFAOYSA-N, Fluoro-2-formylphenyl)boronic acid, BCP14487, ANW-37586, FCH881890, KM2124, MFCD10697426, AKOS006302504, ZINC169806907, AB59580, AM90130, CS-W000972, PC32757, RP23055, 2-(Dihydroxyboryl)-5-fluorobenzaldehyde, BC001216, DS-16707, AX8208752, DB-023696, TC-126331, 4CH-003091, FT-0717532, ST24034683, V7882, Boronic acid, B-(4-fluoro-2-formylphenyl)-, J-515334, C7H6BFO3, (4-Fluoro-2-formylphenyl)boronicacid, ACN-044098,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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