4-Methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,2,3-triazole 1-oxide

HCID 90109482
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Basic information

Standard SMILES
Cc1c[n+]([O-])n(-c2ccc(C(F)(F)F)cc2)n1
InChIKey
FEZZUSJWVCRXRG-UHFFFAOYSA-N
Molecular formula
C10H8F3N3O
Average molar mass
243.18 g/mol

Names & identifiers

Preferred name
4-Methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,2,3-triazole 1-oxide
IUPAC
4-methyl-1-oxido-2-[4-(trifluoromethyl)phenyl]triazol-1-ium

Names & synonyms

4-Methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,2,3-triazole 1-oxideSCHEMBL15657655

Database identifiers

PubChem CID
90109482

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
43.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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