AG008SGC

1035235-29-0 | 4-Cyano-2-fluorophenylboronic acid, pinacol ester

AG008SGC

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CAS Number	1035235-29-0
Catalog Number	AG008SGC(AGN-PC-0WAABU)
Chemical Name	4-Cyano-2-fluorophenylboronic acid, pinacol ester
IUPAC Name	3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI	InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7H,1-4H3
InChI Key	FEUINZSEHIJUBU-UHFFFAOYSA-N
MDL Number	MFCD09998162
Molecular Formula	C13H15BFNO2
Molecular Weight	247.0731
SMILES	CC1(C)OB(OC1(C)C)C1=C(F)C=C(C=C1)C#N
Synonyms	1035235-29-0, 4-CYANO-2-FLUOROPHENYLBORONIC ACID, PINACOL ESTER, 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 4-Cyano-2-fluorophenylboronic acid pinacol ester, 4-Cyano-2-fluorobenzeneboronic acid, pinacol ester, MFCD09998162, 3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 4-Cyano-2-fluorophenylboronic acid pinacol ester, 97%, 2-cyclopentylideneethanol, SCHEMBL156525, CTK8B3672, KS-00000AVR, DTXSID10660654, FEUINZSEHIJUBU-UHFFFAOYSA-N, ZXBA000511, ZX-AP000600, ANW-42927, PC3223, SBB100210, AKOS015960168, ZINC169743572, FCH2717742, MB08382, PS-9709, RTR-000831, BC000031, SY032567, AX8236000, TR-000831, FT-0697216, ST24022879, X1508, 4-Cyano-2-fluorophenylboronicAcidPinacolEster, MFCD09998162 (97%), A-4283, 4-Cyano-2-fluorophenylboronic acid,pinacol ester, J-000992, 4-CYANO-2-FLUOROBENZENEBORONIC ACID PINACOL ESTER, 4-Cyano-2-fluorophenylboronic acid pinacol ester, AldrichCPR, 3-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile, 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)benzonitrile, 3-fluoro-4-(4,4,5,5-tetramethyl(1,3,2-dioxaborolan-2-yl))benzenecarbonitrile, C13H15BFNO2, ACN-034239,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.118g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.076g/mol
Monoisotopic Mass	247.118g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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