AG006DJH

690632-38-3 | tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

AG006DJH

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CAS Number	690632-38-3
Catalog Number	AG006DJH(AGN-PC-0KL739)
Chemical Name	tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
IUPAC Name	tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI	InChI=1S/C18H22BrNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-10-12(19)4-5-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3
InChI Key	ZUKYLVHOLKDNGX-UHFFFAOYSA-N
MDL Number	MFCD05865132
Molecular Formula	C18H22BrNO4
Molecular Weight	396.2756
SMILES	BrC2=CC=C1OC3(CC(C1=C2)=O)CCN(CC3)C(=O)OC(C)(C)C
Synonyms	690632-38-3, tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate, AK-31489, tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate, tert-butyl 6-bromo-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate, AC1MDRTZ, SCHEMBL308621, SCHEMBL3490895, CTK8B5651, DTXSID00383385, ZUKYLVHOLKDNGX-UHFFFAOYSA-N, KS-000024LC, ZINC2563887, ZX-RL000444, ANW-49455, MFCD05865132, AKOS015919872, CB-3266, CS-W000686, DS-0755, tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro(chromene-2,4'-piperidine)-1'-carboxylate, tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1H-spiro(chromene-2,4-piperidine)-1-carboxylate, AJ-40961, BR-31489, OR301180, SC-37384, AB0026272, AX8153124, ST2413934, TC-138200, 4CH-007725, FT-0658672, W7898, S-6956, tert-butyl 6-bromo-4-oxospiro[chroman-2,4'piperidi, 1-N-Boc-6-bromo-4-oxo-3,4-dihydro-1H-spiro(chromene-2,4-piperidine), 6-bromo-1'-(tert-butoxycarbonyl)spiro[chroman-2,4'-piperidin]-4-one, Tert-butyl 6-bromo-4-oxospiro-[chroman-2,4'-piperidine]-1'-carboxylate, TERT-BUTYL 6-BROMO-4-OXOSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE, tert-butyl 6-bromo-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate, tert-butyl-6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate, 6-bromo-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester, tert-butyl 6-bromo-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate, C18H22BrNO4, ZINC02563887, CID2794759, tert-butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carb oxylate, TERT-BUTYL6-BROMO-4-OXO-3,4-DIHYDRO-1'H-SPIRO[CHROMENE-2,4'-PIPERIDINE!-1'-CARBOXY,

Complexity	508
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	395.073g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	396.281g/mol
Monoisotopic Mass	395.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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