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Home > Nitro Compounds > 799841-57-9
799841-57-9 | Acetamide, 2-[1-(4-nitrophenyl)-4-piperidinylidene]-
CAS No: 799841-57-9 Catalog No: AG004Z04 MDL No:
Product Description
Catalog Number:
AG004Z04
Chemical Name:
Acetamide, 2-[1-(4-nitrophenyl)-4-piperidinylidene]-
CAS Number:
799841-57-9
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetamide
InChI:
InChI=1S/C13H15N3O3/c14-13(17)9-10-5-7-15(8-6-10)11-1-3-12(4-2-11)16(18)19/h1-4,9H,5-8H2,(H2,14,17)
InChI Key:
MMBIRLSYIPVYPY-UHFFFAOYSA-N
SMILES:
NC(=O)C=C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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