1-[1-(2,3-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
Basic information
- CAS
519056-56-5- Standard SMILES
CC(=O)c1nnn(-c2cccc(Cl)c2Cl)c1C- InChIKey
ZQIKSAPYGKRXTA-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N3O
- Average molar mass
- 270.11 g/mol
- Monoisotopic mass
- 269.0122673
Names & identifiers
- Preferred name
- 1-[1-(2,3-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
- IUPAC
- 1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
- English name
- 1-[1-(2,3-Dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
- Molecular formula
- C11H9Cl2N3O
- Molecular weight
- 270.11
Names & synonyms
519056-56-51-[1-(2,3-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone1-(1-(2,3-Dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethanone1-(1-(2,3-Dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethan-1-oneHMS549F09CDS1_000471Maybridge1_002759DivK1c_001511DTXSID50337232ZQIKSAPYGKRXTA-UHFFFAOYSA-NCCG-243011
Show more names
Ethanone, 1-[1-(2,3-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-
1-[1-(2,3-Dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone #Ethanone, 1-[1-(2,3-dichlorophenyl)-5-methyl-1,2,3-triazol-4-yl)-
Database identifiers
- CAS
519056-56-5- PubChem CID
- 540378
- DTXSID
DTXSID50337232
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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