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1260763-61-8 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 7-chloro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS No: 1260763-61-8 Catalog No: AG000R64 MDL No:MFCD13195358
Product Description
Catalog Number:
AG000R64
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 7-chloro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1260763-61-8
Molecular Formula:
C17H21ClN2O3
Molecular Weight:
336.8132
MDL Number:
MFCD13195358
IUPAC Name:
tert-butyl 7-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H21ClN2O3/c1-16(2,3)23-15(22)20-9-7-17(8-10-20)11-5-4-6-12(18)13(11)19-14(17)21/h4-6H,7-10H2,1-3H3,(H,19,21)
InChI Key:
AFRLTYMRDKUJRE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1Cl)OC(C)(C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.816g/mol
Monoisotopic Mass:
336.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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