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Home > Nitro Compounds > 946157-09-1
946157-09-1 | 1-(2-Methylsulfonyl-4-nitrophenyl)piperazine
CAS No: 946157-09-1 Catalog No: AG01EZJW MDL No:
Product Description
Catalog Number:
AG01EZJW
Chemical Name:
1-(2-Methylsulfonyl-4-nitrophenyl)piperazine
CAS Number:
946157-09-1
Molecular Formula:
C11H15N3O4S
Molecular Weight:
285.3195
IUPAC Name:
1-(2-methylsulfonyl-4-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O4S/c1-19(17,18)11-8-9(14(15)16)2-3-10(11)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChI Key:
AQMYFSROMSEUNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N1CCNCC1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.318g/mol
Monoisotopic Mass:
285.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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