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Home > Nitro Compounds > 951624-85-4
951624-85-4 | 1-(4-Ethylsulfonyl-2-nitrophenyl)piperazine
CAS No: 951624-85-4 Catalog No: AG01EZLD MDL No:
Product Description
Catalog Number:
AG01EZLD
Chemical Name:
1-(4-Ethylsulfonyl-2-nitrophenyl)piperazine
CAS Number:
951624-85-4
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)piperazine
InChI:
InChI=1S/C12H17N3O4S/c1-2-20(18,19)10-3-4-11(12(9-10)15(16)17)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
HVFQLLOLGPDWPX-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.345g/mol
Monoisotopic Mass:
299.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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