AG00HSBF

1309980-28-6 | 2-Fluoro-6-pyrrolidinopyridine-4-boronic acid pinacol ester

AG00HSBF

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CAS Number	1309980-28-6
Catalog Number	AG00HSBF(AGN-PC-0WAO50)
Chemical Name	2-Fluoro-6-pyrrolidinopyridine-4-boronic acid pinacol ester
IUPAC Name	2-fluoro-6-pyrrolidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI	InChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-9-12(17)18-13(10-11)19-7-5-6-8-19/h9-10H,5-8H2,1-4H3
InChI Key	ZOUXTPYYXXRRDH-UHFFFAOYSA-N
MDL Number	MFCD15530269
Molecular Formula	C15H22BFN2O2
Molecular Weight	292.1568
SMILES	FC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(N3CCCC3)=N1
Synonyms	2-Fluoro-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 1309980-28-6, 2-Fluoro-6-pyrrolidinopyridine-4-boronic acid pinacol ester, AC1Q2CS2, CTK7B8041, DTXSID30673564, 3622AD, MFCD15530269, AKOS015853440, ZINC169794022, AS-55362, PC412480, TR-071255, K-4078, 2-Fluoro-6-(pyrrolidin-1-yl)pyridine-4-boronic acid pinacol ester, 2-fluoro-6-(pyrrolidin-1-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-Fluoro-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, AldrichCPR, C15H22BFN2O2,

Complexity	372
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.176g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	292.161g/mol
Monoisotopic Mass	292.176g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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