AG004U0X

866028-06-0 | tert-Butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate

AG004U0X

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CAS Number	866028-06-0
Catalog Number	AG004U0X(AGN-PC-07HAW7)
Chemical Name	tert-Butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate
IUPAC Name	tert-butyl 5-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
InChI	InChI=1S/C17H21FN2O3/c1-16(2,3)23-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(17)21/h4-5,10H,6-9H2,1-3H3,(H,19,21)
InChI Key	XKVSTTHNVBKSHX-UHFFFAOYSA-N
MDL Number	MFCD10566054
Molecular Formula	C17H21FN2O3
Molecular Weight	320.3586
SMILES	C(=O)(OC(C)(C)C)N1CCC3(CC1)C2=CC(=CC=C2NC3=O)F
Synonyms	866028-06-0, 1'-BOC-5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE], tert-Butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate, tert-Butyl 5-fluoro-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate, AK-24413, C17H21FN2O3, 1-Boc-5-fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4-piperidine], tert-butyl 5-fluoro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate, XKVSTTHNVBKSHX-UHFFFAOYSA-N, SCHEMBL4975818, SCHEMBL4975823, CTK8B6029, KS-00000HCU, DTXSID00671951, ANW-52167, MFCD10566054, ZINC40448410, AKOS015836951, DS-0349, RP07934, BR-24413, PC430338, SC-31558, AB0027099, AJ-102705, AX8157977, TR-026972, 1'-Boc-5-Fluoro-1,2-dihydro-2-oxo-spiro, 4CH-007873, AM20050463, CS-0019336, FT-0645628, ST24031836, W8892, S-7563, J-524735, 5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PI, 1;-Boc-5-Fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4;-piperidine], tert-butyl 5-fluoro-2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-carboxylate, tert-butyl 5-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate, tert-Butyl 5-fluoro-2-oxo-1,2-dihydro-1H-spiro[indole-3,4-piperidine]-1-carboxylate,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.154g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	320.364g/mol
Monoisotopic Mass	320.154g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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