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Home > Nitro Compounds > 942474-76-2
942474-76-2 | 1-[4-(Ethylsulfonyl)-2-nitrophenyl]-4-methylpiperidine
CAS No: 942474-76-2 Catalog No: AG01EZGB MDL No:
Product Description
Catalog Number:
AG01EZGB
Chemical Name:
1-[4-(Ethylsulfonyl)-2-nitrophenyl]-4-methylpiperidine
CAS Number:
942474-76-2
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)-4-methylpiperidine
InChI:
InChI=1S/C14H20N2O4S/c1-3-21(19,20)12-4-5-13(14(10-12)16(17)18)15-8-6-11(2)7-9-15/h4-5,10-11H,3,6-9H2,1-2H3
InChI Key:
HTMANDUFHAYVNI-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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