3-(3-Bromophenyl)-5-(methanesulfonyl)-1H-1,2,4-triazole
Basic information
- CAS
924663-92-3- Standard SMILES
CS(=O)(=O)c1nc(-c2cccc(Br)c2)n[nH]1- InChIKey
KFSFEVPUAUVRPE-UHFFFAOYSA-N- Molecular formula
- C9H8BrN3O2S
- Average molar mass
- 302.15 g/mol
- Monoisotopic mass
- 300.95206
Names & identifiers
- Preferred name
- 3-(3-Bromophenyl)-5-(methanesulfonyl)-1H-1,2,4-triazole
- IUPAC
- 3-(3-bromophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
Names & synonyms
924663-92-33-(3-Bromophenyl)-5-(methylsulfonyl)-1H-1,2,4-triazoleCHEMBL225779DTXSID906589783-(3-Bromophenyl)-5-(methanesulfonyl)-1H-1,2,4-triazole
Database identifiers
- CAS
924663-92-3- PubChem CID
- 44423391
- DTXSID
DTXSID90658978- ChEMBL
CHEMBL225779
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…