IUPAC name
4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
SMILES
CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)C)N(=O)=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
nitralin
IUPAC name
4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
SMILES
CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)C)N(=O)=O
INCHI
InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
FORMULA
C13H19N3O6S
Common name
nitralin
IUPAC name
4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
Molecular weight
345.371
clogP
-1.126
clogS
-3.820
HBond Acceptor
9
HBond Donor
0
Total Polar Surface Area
105.66
Number of Rings
1
Rotatable Bond
8
