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209348-85-6 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-fluoro-1,2-dihydro-, phenylmethyl ester
CAS No: 209348-85-6 Catalog No: AG002K6N MDL No:MFCD12198574
Product Description
Catalog Number:
AG002K6N
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-fluoro-1,2-dihydro-, phenylmethyl ester
CAS Number:
209348-85-6
Molecular Formula:
C20H21FN2O2
Molecular Weight:
340.3913
MDL Number:
MFCD12198574
IUPAC Name:
benzyl 5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C20H21FN2O2/c21-16-6-7-18-17(12-16)20(14-22-18)8-10-23(11-9-20)19(24)25-13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2
InChI Key:
WDSMLORPPZVYNH-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OCc1ccccc1)CN2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.398g/mol
Monoisotopic Mass:
340.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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