2-(8-Bromooctyl)-4,5-diphenyltriazole

HCID 22916331
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Basic information

Standard SMILES
BrCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIKey
ITIVSPRQAJEXLE-UHFFFAOYSA-N
Molecular formula
C22H26BrN3
Average molar mass
412.4 g/mol
Monoisotopic mass
411.13101

Names & identifiers

Preferred name
2-(8-Bromooctyl)-4,5-diphenyltriazole
IUPAC
2-(8-bromooctyl)-4,5-diphenyltriazole

Names & synonyms

SCHEMBL8104240ITIVSPRQAJEXLE-UHFFFAOYSA-N2-(8-Bromooctyl)-4,5-diphenyltriazole2-(8-bromooctyl)-4,5-diphenyl-triazole

Database identifiers

PubChem CID
22916331

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
26

Related reactions

5 records
New reaction record

Linked notes

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