AG004GDV

870717-92-3 | 2,6-DIFLUORO-4-FORMYLPHENYLBORONIC ACID PINACOL ESTER

AG004GDV

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CAS Number	870717-92-3
Catalog Number	AG004GDV(AGN-PC-00UQVL)
Chemical Name	2,6-DIFLUORO-4-FORMYLPHENYLBORONIC ACID PINACOL ESTER
IUPAC Name	3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI	InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)11-9(15)5-8(7-17)6-10(11)16/h5-7H,1-4H3
InChI Key	KWYZDHWDFMOVOR-UHFFFAOYSA-N
MDL Number	MFCD08276848
Molecular Formula	C13H15BF2O3
Molecular Weight	268.0642
SMILES	O=CC1=CC(F)=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1
Synonyms	870717-92-3, 2,6-Difluoro-4-formylphenylboronic acid pinacol ester, 3,5-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, SCHEMBL12077653, CTK8B3945, DTXSID90584783, KWYZDHWDFMOVOR-UHFFFAOYSA-N, ANW-43525, MFCD08276848, AKOS015893184, ZINC169748121, FCH2817203, FS-5759, RTR-027101, BC001555, PC412091, AX8217801, TR-027101, 4CH-000495, ST24041222, X1400, Q-7316, I04-2364, 2,6-Difluoro-4-formylphenylboronic acid, pinacol ester, 2,6-Difluoro-4-formylphenylboronic acid pinacol ester, 97%, BENZALDEHYDE, 3,5-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C13H15BF2O3,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.108g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.067g/mol
Monoisotopic Mass	268.108g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^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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