Hexaconazole

C₁₄H₁₇Cl₂N₃OCAS 79983-71-4314.21 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₄H₁₇Cl₂N₃O
Molar mass: 314.21 g/mol
Exact mass: 313.0749 Da
Melting point: 111 °C
logP: 3.66Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Identifiers

CAS number

79983-71-4

SMILES

CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl

InChIKey

STMIIPIFODONDC-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all

1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-
1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-, (±)-
α-Butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
R 154523
PP 523
Anvil
FD 4053
PC 1002
Clortriafol
Anvil L
Contaf
Contaf 5EC
TDP
(±)-Hexaconazole
Anvil liquid
RS-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Sitara
Flowmax 5SC
Ranvil
Blin exa
Canvil
Contaf plus
Controll
Hexadhan
Samarth
2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Hexaconazole technical

Work with Hexaconazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propiconazole60207-90-156 % similar Azaconazole60207-31-055 % similar Myclobutanil88671-89-052 % similar Penconazole66246-88-648 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-746 % similar Difenoconazole119446-68-344 % similar Tebuconazole107534-96-344 % similar Tebuconazole80443-41-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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