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Amb10069297

Duplicate ID
CAS Number 1000018-29-0
Molecule Name 1-[2-Methyl-4-(methylsulphonyl)-6-nitrophenyl]piperazine
1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]-piperazine
1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]piperazine
SmilesCc1cc(cc(c1N1CCNCC1)[N+](=O)[O-])S(=O)(=O)C
InchiKeyQPJJKMMOKHYSIW-UHFFFAOYSA-N
InChi InChI=1S/C12H17N3O4S/c1-9-7-10(20(2,18)19)8-11(15(16)17)12(9)14-5-3-13-4-6-14/h7-8,13H,3-6H2,1-2H3
Formula C12H17N3O4S
Molecular weight 299.346
Rings 2
logP 2.7141
PSA 103.61
MR 84.6827
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