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Home > Nitro Compounds > 774535-95-4
774535-95-4 | 3-Piperidinecarboxamide,N-(4-nitrophenyl)-
CAS No: 774535-95-4 Catalog No: AG0053DW MDL No:
Product Description
Catalog Number:
AG0053DW
Chemical Name:
3-Piperidinecarboxamide,N-(4-nitrophenyl)-
CAS Number:
774535-95-4
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
IUPAC Name:
N-(4-nitrophenyl)piperidine-3-carboxamide
InChI:
InChI=1S/C12H15N3O3/c16-12(9-2-1-7-13-8-9)14-10-3-5-11(6-4-10)15(17)18/h3-6,9,13H,1-2,7-8H2,(H,14,16)
InChI Key:
PNPWZWHXQLOTRJ-UHFFFAOYSA-N
SMILES:
O=C(C1CCCNC1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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