1H-Benzotriazole-1-ethanol, 5-methoxy-6-nitro-
Basic information
- CAS
94120-22-6- Standard SMILES
COc1cc2nnn(CCO)c2cc1[N+](=O)[O-]- InChIKey
RZOSCHRJNRQVNG-UHFFFAOYSA-N- Molecular formula
- C9H10N4O4
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.07020481
Names & identifiers
- Preferred name
- 1H-Benzotriazole-1-ethanol, 5-methoxy-6-nitro-
- IUPAC
- 2-(5-methoxy-6-nitrobenzotriazol-1-yl)ethanol
Names & synonyms
94120-22-65-Methoxy-6-nitro-1H-benzotriazole-1-ethanolBRN 45096731H-BENZOTRIAZOLE-1-ETHANOL, 5-METHOXY-6-NITRO-DTXSID10240657RefChem:237680DTXCID401631482-(5-Methoxy-6-nitro-1H-benzo[d][1,2,3]triazol-1-yl)ethanol2-(5-Methoxy-6-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol
Database identifiers
- CAS
94120-22-6- PubChem CID
- 56736
- DTXSID
DTXSID10240657
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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