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Home > Nitro Compounds > 30877-80-6
30877-80-6 | Ethanone, 1-[3-nitro-4-(1-piperidinyl)phenyl]-
CAS No: 30877-80-6 Catalog No: AG0031JC MDL No:MFCD00047468
Product Description
Catalog Number:
AG0031JC
Chemical Name:
Ethanone, 1-[3-nitro-4-(1-piperidinyl)phenyl]-
CAS Number:
30877-80-6
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD00047468
IUPAC Name:
1-(3-nitro-4-piperidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C13H16N2O3/c1-10(16)11-5-6-12(13(9-11)15(17)18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
JPQPPQDNFZASSM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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