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1-(4-Bromo-3,5-dimethylphenyl)-1H-1,2,4-triazole

HCID 86697243
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(-n2cncn2)cc(C)c1Br
InChIKey
GYFSYQGDFYFAMQ-UHFFFAOYSA-N
Molecular formula
C10H10BrN3
Average molar mass
252.11 g/mol
Monoisotopic mass
251.00581

Names & identifiers

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

Names & synonyms

1-(4-Bromo-3,5-dimethylphenyl)-1H-1,2,4-triazoleSCHEMBL15263051GYFSYQGDFYFAMQ-UHFFFAOYSA-NDB-1613991458655-27-0

Database identifiers

PubChem CID
86697243

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
188

Related reactions

2 records
New reaction record
HRID 237579 reaction equation
HRID 237579As productuspto-grants-2014_02
HRID 237580 reaction equation
HRID 237580As reactantuspto-grants-2014_02

Compound notes

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