Basic information
- CAS
80123-69-9- Standard SMILES
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1.c1coc(-c2nc3ccccc3[nH]2)c1- InChIKey
NJSKYEXIHJGPOE-UHFFFAOYSA-N- Molecular formula
- C25H24ClN5O3
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.1567673
Names & identifiers
- Preferred name
- Fuberidazole, mixted with triadimefon
- IUPAC
- 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;2-(furan-2-yl)-1H-benzimidazole
Names & synonyms
80123-69-9Fuberidazole, mixted with triadimefonBAY 6743BAY 6744Triadimefon, mixted with fuberidazoleDTXSID9010009851-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one--2-(furan-2-yl)-1H-1,3-benzimidazole (1/1)1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one--2-(furan-2-yl)-1H-benzimidazole (1/1)2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, mixt. with 2-(2-furanyl)-1H-benzimidazole
Database identifiers
- CAS
80123-69-9- PubChem CID
- 187232
- DTXSID
DTXSID901000985
Properties
Computed structural properties
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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