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Home > Fluorides > 885115-60-6
885115-60-6 | tert-Butyl 1-(4-fluoro-2-nitrophenyl)piperidine-4-ylcarbamate
CAS No: 885115-60-6 Catalog No: AG01F6KH MDL No:
Product Description
Catalog Number:
AG01F6KH
Chemical Name:
tert-Butyl 1-(4-fluoro-2-nitrophenyl)piperidine-4-ylcarbamate
CAS Number:
885115-60-6
Molecular Formula:
C16H22FN3O4
Molecular Weight:
339.3620
IUPAC Name:
tert-butyl N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H22FN3O4/c1-16(2,3)24-15(21)18-12-6-8-19(9-7-12)13-5-4-11(17)10-14(13)20(22)23/h4-5,10,12H,6-9H2,1-3H3,(H,18,21)
InChI Key:
USELACXHOHHFFR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])F
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.367g/mol
Monoisotopic Mass:
339.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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