3-bromo-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole

HCID 71209428
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Basic information

Standard SMILES
FC(F)(F)Oc1ccc(-n2cnc(Br)n2)cc1
InChIKey
QILRNUBKKHEVBI-UHFFFAOYSA-N
Molecular formula
C9H5BrF3N3O
Average molar mass
308.05 g/mol

Names & identifiers

Preferred name
3-bromo-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
IUPAC
3-bromo-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole

Names & synonyms

3-bromo-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole1417885-96-13-bromo-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole3-bromo-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazoleSCHEMBL14577291EN300-374197A1-08341

Database identifiers

PubChem CID
71209428

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Related reactions

34 records
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Compound notes

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