3-(4-bromo-2-fluorophenyl)-4H-1,2,4-triazole

HCID 58298331
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(Br)ccc1-c1ncn[nH]1
InChIKey
FQSYBFNJHBTTTD-UHFFFAOYSA-N
Molecular formula
C8H5BrFN3
Average molar mass
242.05 g/mol
Monoisotopic mass
240.96509

Names & identifiers

Preferred name
3-(4-bromo-2-fluorophenyl)-4H-1,2,4-triazole
IUPAC
5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazole

Names & synonyms

3-(4-bromo-2-fluorophenyl)-4H-1,2,4-triazole1228014-45-6SCHEMBL138561SCHEMBL1441332SCHEMBL18614399SCHEMBL29522055FQSYBFNJHBTTTD-UHFFFAOYSA-N5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazoleA1-02490

Database identifiers

PubChem CID
58298331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Related reactions

1 records
New reaction record

Compound notes

Loading…