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858351-44-7 | 1-Boc-5-Fluorospiro[indoline-3,4'-piperidine] hydrochloride
CAS No: 858351-44-7 Catalog No: AG004O8C MDL No:MFCD15071698
Product Description
Catalog Number:
AG004O8C
Chemical Name:
1-Boc-5-Fluorospiro[indoline-3,4'-piperidine] hydrochloride
CAS Number:
858351-44-7
Molecular Formula:
C17H24ClFN2O2
Molecular Weight:
342.8361
MDL Number:
MFCD15071698
IUPAC Name:
tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
InChI:
InChI=1S/C17H23FN2O2.ClH/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20;/h4-5,10,19H,6-9,11H2,1-3H3;1H
InChI Key:
YDBNNIITPFBDDW-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C1(CCNCC1)CN2C(=O)OC(C)(C)C.Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.839g/mol
Monoisotopic Mass:
342.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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