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Home > Nitro Compounds > 942474-30-8
942474-30-8 | 1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidine-4-carboxamide
CAS No: 942474-30-8 Catalog No: AG01EZFI MDL No:
Product Description
Catalog Number:
AG01EZFI
Chemical Name:
1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidine-4-carboxamide
CAS Number:
942474-30-8
Molecular Formula:
C14H19N3O5S
Molecular Weight:
341.3828
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
InChI:
InChI=1S/C14H19N3O5S/c1-2-23(21,22)11-3-4-12(13(9-11)17(19)20)16-7-5-10(6-8-16)14(15)18/h3-4,9-10H,2,5-8H2,1H3,(H2,15,18)
InChI Key:
NZONRQLTLIJHJY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C(=O)N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.382g/mol
Monoisotopic Mass:
341.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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