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158628-80-9 | Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS No: 158628-80-9 Catalog No: AG001QDP MDL No:MFCD12198625
Product Description
Catalog Number:
AG001QDP
Chemical Name:
Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number:
158628-80-9
Molecular Formula:
C18H22BrNO2
Molecular Weight:
364.2768
MDL Number:
MFCD12198625
IUPAC Name:
tert-butyl 6-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H22BrNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-4-5-14(19)12-15(13)18/h4-7,12H,8-11H2,1-3H3
InChI Key:
ZDTBHNPSVAHDFM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.283g/mol
Monoisotopic Mass:
363.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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