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Propiconazole

CAS: 60207-90-1 | C15H17Cl2N3O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 60207-90-1
Molecular Formula: C15H17Cl2N3O2
Molecular Weight: 342.2260000000001 g/mol

Names and Synonyms:

Propiconazole
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-
1-[[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
CGA 64250
Propiconazole
CGD 92710F
Desmel
Proconazole
Tilt
Tilt 125
Wocosin 50TK
Wocosin
Radar (insecticide)
Cane Sett Treatment
Juno
Juno (pesticide)
Radar
Busan 1292
Mycostat P
Bumper
Bamper 25EC
Bamper
Banner Maxx
Wocosen Technical
Tilt Premium
Microban S 2140
S 2140
Dhan
Fertilome Liquid Systemic Fungicide
Microban PZ
Orbit
Orbit (fungicide)
Binghuanzuo
Wocosen
Wolsit KD 10
Aidol SW 900
Propimax
1-[2-(2,4-Dichlorophenyl)-4-n-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole
Woodtreat 10
PPZ
PPZ (fungicide)
Tilt 3.6EC
PropiMax 3.6EC
Bumper 41.8EC
Preventol A 12
Bumper 250EC
Biogard PPZ 250
Biogard PPZ
Banner Maxx II
Procon-Z 14.3 L
Procon-Z
Utconazol
Echion
Preventol A 12TK50
Marazo

Identifiers:

SMILES:
CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
InChI:
InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 342.23 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Propiconazole None Legacy Database
cas-boiling-point 180 °C @ Press: 0.1 Torr None Legacy Database
cas-canonical-smile ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CCC)CN3N=CN=C3 None Legacy Database
cas-inchi InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3 None Legacy Database
cas-inchi-key InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N None Legacy Database
cas-melting-point <25 °C None Legacy Database
cas-name Propiconazole None Legacy Database
wikipedia-name Propiconazole None Legacy Database
LogP 3.653400000000003 RDKit

Molecular

Property Value Source
Molecular Weight 342.2260000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 341.069782144 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 22 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 5 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 49.17 Ų RDKit

Molar

Property Value Source
Molar Refractivity 83.89500000000004 RDKit

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