1H-Benzotriazole, 1-[1-(4-methoxyphenyl)butyl]-
Basic information
- CAS
158607-49-9- Standard SMILES
CCCC(c1ccc(OC)cc1)n1nnc2ccccc21- InChIKey
RJOWVTZELBPCQR-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- 1H-Benzotriazole, 1-[1-(4-methoxyphenyl)butyl]-
- IUPAC
- 1-[1-(4-methoxyphenyl)butyl]benzotriazole
Names & synonyms
1H-Benzotriazole, 1-[1-(4-methoxyphenyl)butyl]-DTXSID601243368158607-49-91-[1-(4-Methoxyphenyl)butyl]-1H-benzotriazole
Database identifiers
- CAS
158607-49-9- PubChem CID
- 3560469
- DTXSID
DTXSID601243368
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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