1-Methoxybenzotriazole
Basic information
- CAS
22713-34-4- Standard SMILES
COn1nnc2ccccc21- InChIKey
ZHPSBMQVLQEIIC-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 1-Methoxybenzotriazole
- IUPAC
- 1-methoxybenzotriazole
Names & synonyms
1-methoxybenzotriazole1-methoxy-1H-1,2,3-benzotriazole22713-34-41-Methoxy-1H-benzotriazoleNSC286155SCHEMBL798347SCHEMBL10552820DTXSID403145771H-BENZOTRIAZOLE,1-METHOXY-NSC-2861551H-1,2,3-benzotriazole, 1-methoxy-DS-008637
Show more names
InChI=1/C7H7N3O/c1-11-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H
Database identifiers
- CAS
22713-34-4- PubChem CID
- 323685
- DTXSID
DTXSID40314577- Nikkaji
- J697.935A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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