3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-4-methyl-1-(1H-1,2,4-triazol-1-yl)-
Basic information
- CAS
107658-67-3- Standard SMILES
CC(C)C(=O)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
FJEFNLXJBYDWTB-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2N3O2
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0541321
Names & identifiers
- Preferred name
- 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-4-methyl-1-(1H-1,2,4-triazol-1-yl)-
- IUPAC
- 2-(2,4-dichlorophenyl)-2-hydroxy-4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one
Names & synonyms
107658-67-33-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-4-methyl-1-(1H-1,2,4-triazol-1-yl)-CHEMBL10167DTXSID709104002-(2,4-dichlorophenyl)-2-hydroxy-4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one2-(2,4-Dichlorophenyl)-2-hydroxy-4-methyl-1-(1H-1,2,4-triazol-1-yl)pentan-3-one
Database identifiers
- CAS
107658-67-3- PubChem CID
- 3007553
- DTXSID
DTXSID70910400- ChEMBL
CHEMBL10167
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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