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Home > Nitro Compounds > 942474-18-2
942474-18-2 | 1-[2-(Methylsulfonyl)-4-nitrophenyl]-3-methylpiperazine
CAS No: 942474-18-2 Catalog No: AG01EZFB MDL No:
Product Description
Catalog Number:
AG01EZFB
Chemical Name:
1-[2-(Methylsulfonyl)-4-nitrophenyl]-3-methylpiperazine
CAS Number:
942474-18-2
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
IUPAC Name:
3-methyl-1-(2-methylsulfonyl-4-nitrophenyl)piperazine
InChI:
InChI=1S/C12H17N3O4S/c1-9-8-14(6-5-13-9)11-4-3-10(15(16)17)7-12(11)20(2,18)19/h3-4,7,9,13H,5-6,8H2,1-2H3
InChI Key:
FSLXLICOGROISX-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ccc(cc1S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
456
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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