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Home > Nitro Compounds > 832101-96-9
832101-96-9 | Quinoline, 6-nitro-2-[(4-phenyl-1-piperidinyl)methyl]-
CAS No: 832101-96-9 Catalog No: AG004UZR MDL No:
Product Description
Catalog Number:
AG004UZR
Chemical Name:
Quinoline, 6-nitro-2-[(4-phenyl-1-piperidinyl)methyl]-
CAS Number:
832101-96-9
Molecular Formula:
C21H21N3O2
Molecular Weight:
347.4103
IUPAC Name:
6-nitro-2-[(4-phenylpiperidin-1-yl)methyl]quinoline
InChI:
InChI=1S/C21H21N3O2/c25-24(26)20-8-9-21-18(14-20)6-7-19(22-21)15-23-12-10-17(11-13-23)16-4-2-1-3-5-16/h1-9,14,17H,10-13,15H2
InChI Key:
ACDCXROWTQJSBF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccc(n2)CN1CCC(CC1)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.418g/mol
Monoisotopic Mass:
347.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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