AG000O3E

1256355-30-2 | Boronic acid, B-(5-fluoro-2-formylphenyl)-

AG000O3E

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CAS Number	1256355-30-2
Catalog Number	AG000O3E(AGN-PC-07XUKG)
Chemical Name	Boronic acid, B-(5-fluoro-2-formylphenyl)-
IUPAC Name	(5-fluoro-2-formylphenyl)boronic acid
InChI	InChI=1S/C7H6BFO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4,11-12H
InChI Key	FLYQNYPIYYNUCW-UHFFFAOYSA-N
MDL Number	MFCD09953731
Molecular Formula	C7H6BFO3
Molecular Weight	167.9301
SMILES	FC=1C=CC(=C(C1)B(O)O)C=O
Synonyms	1256355-30-2, 5-FLUORO-2-FORMYLPHENYLBORONIC ACID, (5-Fluoro-2-formylphenyl)boronic acid, (5-Fluoro-2-formyl-phenyl)boronic acid, AK-62365, ACMC-209ayn, SCHEMBL14697059, CTK4B4602, KS-00000AST, DTXSID60675314, FLYQNYPIYYNUCW-UHFFFAOYSA-N, ANW-18477, BBL103751, EBD215855, FCH878690, MFCD09953731, STL557561, AKOS006313504, ZINC169745272, (5-Fluoro-2-formylphenyl)boronic?acid, AM90034, CS-W000864, PC52076, 5-FLUORO-2-FORMYLPHENYLBORONICACID, AS-18767, BC001047, QC-10939, SC-97137, SY035772, AB0029779, AX8165409, TR-035262, 4CH-009064, FT-0697485, ST24026305, X1925, Boronic acid, B-(5-fluoro-2-formylphenyl)-, MFCD09953731 (95%), B-3454, I04-2830, Not Available, C7H6BFO3, 5-fluoro-2-formylbenzeneboronic acid, ACN-034183,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number