Basic information
- CAS
66247-36-7- Standard SMILES
CCCCC(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
NEDKLHZEQYTKIX-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2N3
- Average molar mass
- 298.2 g/mol
- Monoisotopic mass
- 297.0799529
Names & identifiers
- Preferred name
- 1-[2-(2,4-Dichlorophenyl)hexyl]-1H-1,2,4-triazole
- IUPAC
- 1-[2-(2,4-dichlorophenyl)hexyl]-1,2,4-triazole
Names & synonyms
66247-36-7SCHEMBL94809001-[2-(2,4-Dichlorophenyl)hexyl]-1H-1,2,4-triazoleDTXSID70545958
Database identifiers
- CAS
66247-36-7- PubChem CID
- 13655412
- DTXSID
DTXSID70545958
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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