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Home > Nitro Compounds > 942474-85-3
942474-85-3 | 1-(2-hydroxyethyl)-4-[2-(methylsulphonyl)-4-nitrophenyl]piperazine
CAS No: 942474-85-3 Catalog No: AG01EZGG MDL No:
Product Description
Catalog Number:
AG01EZGG
Chemical Name:
1-(2-hydroxyethyl)-4-[2-(methylsulphonyl)-4-nitrophenyl]piperazine
CAS Number:
942474-85-3
Molecular Formula:
C13H19N3O5S
Molecular Weight:
329.3721
IUPAC Name:
2-[4-(2-methylsulfonyl-4-nitrophenyl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H19N3O5S/c1-22(20,21)13-10-11(16(18)19)2-3-12(13)15-6-4-14(5-7-15)8-9-17/h2-3,10,17H,4-9H2,1H3
InChI Key:
LWCBHYQAZOQSEP-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cc1S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.371g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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