BENZALDEHYDE, o-(5-(m-METHOXYPHENYL)-s-TRIAZOL-3-YL)-
Basic information
- CAS
76217-33-9- Standard SMILES
COc1cccc(-c2ncn(-c3ccccc3C=O)n2)c1- InChIKey
OLESXLRHLYXRKZ-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- BENZALDEHYDE, o-(5-(m-METHOXYPHENYL)-s-TRIAZOL-3-YL)-
- IUPAC
- 2-[3-(3-methoxyphenyl)-1,2,4-triazol-1-yl]benzaldehyde
- English name
- o-[5-(m-Methoxyphenyl)-5H-s-triazol-3-yl]benzaldehyde
- Molecular formula
- C16H13N3O2
- Molecular weight
- 0
Names & synonyms
BENZALDEHYDE, o-(5-(m-METHOXYPHENYL)-s-TRIAZOL-3-YL)-76217-33-9BRN 55694872-(3-(3-Methoxyphenyl)-s-triazol-5-yl)benzaldehydeo-(5-(m-Methoxyphenyl)-s-triazol-3-yl)benzaldehydeBenzaldehyde, 2-(5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-DTXSID202270752-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]benzaldehyde2-benzaldehydeo-[5-(m-Methoxyphenyl)-5H-s-triazol-3-yl]benzaldehyde
Database identifiers
- CAS
76217-33-9- PubChem CID
- 53466
- DTXSID
DTXSID20227075
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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