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Home > Fluorides > 832102-89-3
832102-89-3 | Quinoline, 2-[[4-(4-fluorophenyl)-1-piperidinyl]methyl]-6-nitro-
CAS No: 832102-89-3 Catalog No: AG004ZD7 MDL No:
Product Description
Catalog Number:
AG004ZD7
Chemical Name:
Quinoline, 2-[[4-(4-fluorophenyl)-1-piperidinyl]methyl]-6-nitro-
CAS Number:
832102-89-3
Molecular Formula:
C21H20FN3O2
Molecular Weight:
365.4008
IUPAC Name:
2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-6-nitroquinoline
InChI:
InChI=1S/C21H20FN3O2/c22-18-4-1-15(2-5-18)16-9-11-24(12-10-16)14-19-6-3-17-13-20(25(26)27)7-8-21(17)23-19/h1-8,13,16H,9-12,14H2
InChI Key:
AALAFRCTXXQRKK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1CCN(CC1)Cc1ccc2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.154g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.408g/mol
Monoisotopic Mass:
365.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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