IUPAC name
α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
SMILES
CCCCC(Cn1cncn1)(c1ccc(cc1Cl)Cl)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
hexaconazole
IUPAC name
α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
SMILES
CCCCC(Cn1cncn1)(c1ccc(cc1Cl)Cl)O
INCHI
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
FORMULA
C14H17Cl2N3O
Common name
hexaconazole
IUPAC name
α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
Molecular weight
314.210
clogP
3.396
clogS
-4.492
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
2
Rotatable Bond
6
