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Home > Nitro Compounds > 942474-62-6
942474-62-6 | 1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidine
CAS No: 942474-62-6 Catalog No: AG01EZG1 MDL No:
Product Description
Catalog Number:
AG01EZG1
Chemical Name:
1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidine
CAS Number:
942474-62-6
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)piperidine
InChI:
InChI=1S/C13H18N2O4S/c1-2-20(18,19)11-6-7-12(13(10-11)15(16)17)14-8-4-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3
InChI Key:
FMCMPRSPZOAYQF-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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