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Home > Nitro Compounds > 89686-25-9
89686-25-9 | Piperidine, 1-(2-nitrobenzoyl)-2-propyl-, (S)-
CAS No: 89686-25-9 Catalog No: AG0042XL MDL No:
Product Description
Catalog Number:
AG0042XL
Chemical Name:
Piperidine, 1-(2-nitrobenzoyl)-2-propyl-, (S)-
CAS Number:
89686-25-9
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
IUPAC Name:
(2-nitrophenyl)-[(2S)-2-propylpiperidin-1-yl]methanone
InChI:
InChI=1S/C15H20N2O3/c1-2-7-12-8-5-6-11-16(12)15(18)13-9-3-4-10-14(13)17(19)20/h3-4,9-10,12H,2,5-8,11H2,1H3/t12-/m0/s1
InChI Key:
IRKNSYURBIRERC-LBPRGKRZSA-N
SMILES:
CCC[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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