1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]- supplier

Name
prothioconazole-desthio
EINECS
CAS No. 120983-64-4
Density 1.42 g/cm³
Solubility
Melting Point 108 °C
Formula C₁₄H₁₅Cl₂N₃O
Boiling Point 508.2 °C at 760mmHg
Molecular Weight 312.1944
Flash Point 261.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol;
PSA 50.94000
LogP 2.67670

1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]- Specification

The 1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]-, also known as SXX 0665, is the organic compound with the formula C₁₄H₁₅Cl₂N₃O. With the CAS registry number 120983-64-4, its IUPAC name is 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Physical properties of 1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]-: (1)XLogP3-AA: 2.7; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 5; (5)Exact Mass: 311.059218; (6)MonoIsotopic Mass: 311.059218; (7)Topological Polar Surface Area: 50.9; (8)Heavy Atom Count: 20; (9)Formal Charge: 0; (10)Complexity: 353; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
(2)InChI: InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
(3)InChIKey: HHUQPWODPBDTLI-UHFFFAOYSA-N

Product Name

prothioconazole-desthio

1H-1,2,4-Triazole-1-ethanol,a-(1-chlorocyclopropyl)-a-[(2-chlorophenyl)methyl]- Specification

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