AG0036C1

873779-30-7 | tert-Butyl 5-bromo-2-oxospiro[3H-indoline-3,4'-piperidine]-1'-carboxylate

AG0036C1

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CAS Number	873779-30-7
Catalog Number	AG0036C1(AGN-PC-07HB1O)
Chemical Name	tert-Butyl 5-bromo-2-oxospiro[3H-indoline-3,4'-piperidine]-1'-carboxylate
IUPAC Name	tert-butyl 5-bromo-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
InChI	InChI=1S/C17H21BrN2O3/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	SMSXNHRWSYLACX-UHFFFAOYSA-N
MDL Number	MFCD10566052
Molecular Formula	C17H21BrN2O3
Molecular Weight	381.2642
SMILES	C(=O)(OC(C)(C)C)N1CCC3(CC1)C2=CC(=CC=C2NC3=O)Br
Synonyms	873779-30-7, 1'-Boc-5-Bromo-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine], TERT-BUTYL 5-BROMO-2-OXOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE, C17H21BrN2O3, tert-Butyl5-bromo-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate, SCHEMBL13310616, CTK8B6031, DTXSID50672115, KS-00001CC9, ANW-52174, MFCD10566052, ZINC40448704, 1'-N-Boc-5-bromo-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine], AKOS015836942, CB-2805, CS-W023016, PB34521, tert-butyl 5-bromo-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate, AK-24411, AM804460, AS-30910, BR-24411, OR315449, 1'-Boc-5-Bromo-1,2-dihydro-2-oxo-spiro, AB0027162, AJ-102937, AX8159593, TR-027337, 4CH-008366, FT-0648737, ST24031831, W8964, S-7261, 1-boc-5-bromo-1,2-dihydro-2-oxo-spiro[3h-indole-3,4-piperidine], 1;-Boc-5-Bromo-1,2-dihydro-2-oxo-spiro[3H-indole-3,4;-piperidine], tert-butyl 5-bromo-2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-carboxylate, tert-butyl 5-bromo-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate, tert-Butyl 5-bromo-2-oxospiro[3H-indoline-3,4'-piperidine]-1'-carboxylate, tert-Butyl 5-bromo-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate, SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLICACID, 5-BROMO-1,2-DIHYDRO-2-OXO-, 1,1-DIMETHYLETHYL ESTER, SMSXNHRWSYLACX-UHFFFAOYSA-N,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	380.074g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	381.27g/mol
Monoisotopic Mass	380.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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