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Home > Nitro Compounds > 1000018-29-0
1000018-29-0 | 1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]piperazine
CAS No: 1000018-29-0 Catalog No: AG01EQIF MDL No:
Product Description
Catalog Number:
AG01EQIF
Chemical Name:
1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]piperazine
CAS Number:
1000018-29-0
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
IUPAC Name:
1-(2-methyl-4-methylsulfonyl-6-nitrophenyl)piperazine
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
InChI Key:
QPJJKMMOKHYSIW-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1N1CCNCC1)[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
450
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:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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