[2-(4-Chlorophenyl)triazol-4-yl]-thiophen-2-ylmethanone
Basic information
- CAS
720701-26-8- Standard SMILES
O=C(c1cnn(-c2ccc(Cl)cc2)n1)c1cccs1- InChIKey
NDLHUNWCSRYEKI-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3OS
- Average molar mass
- 289.74 g/mol
- Monoisotopic mass
- 289.0076608
Names & identifiers
- Preferred name
- [2-(4-Chlorophenyl)triazol-4-yl]-thiophen-2-ylmethanone
- IUPAC
- [2-(4-chlorophenyl)triazol-4-yl]-thiophen-2-ylmethanone
- English name
- [2-(4-chlorophenyl)-2H-1,2,3-triazol-4-yl](2-thienyl)methanone
- Molecular formula
- C13H8ClN3OS
- Molecular weight
- 289.74012
Names & synonyms
720701-26-8[2-(4-chlorophenyl)-2H-1,2,3-triazol-4-yl](2-thienyl)methanoneMethanone, [2-(4-chlorophenyl)-2H-1,2,3-triazol-4-yl]-2-thienyl-AI-031/41090278[2-(4-chlorophenyl)triazol-4-yl]-thiophen-2-ylmethanoneMaybridge3_002872SCHEMBL14949012DTXSID40353027HMS1439C12CCG-55827IDI1_014259SR-01000644829-1
Show more names
[2-(4-Chlorophenyl)-2H-1,2,3-triazol-4-yl](thiophen-2-yl)methanone
Database identifiers
- CAS
720701-26-8- PubChem CID
- 736449
- DTXSID
DTXSID40353027
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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