1-Methoxy-4-nitro-1H-benzotriazole
Basic information
- CAS
40422-79-5- Standard SMILES
COn1nnc2c([N+](=O)[O-])cccc21- InChIKey
UQMVNXDJUDQVRX-UHFFFAOYSA-N- Molecular formula
- C7H6N4O3
- Average molar mass
- 194.15 g/mol
- Monoisotopic mass
- 194.04399007
Names & identifiers
- Preferred name
- 1-Methoxy-4-nitro-1H-benzotriazole
- IUPAC
- 1-methoxy-4-nitrobenzotriazole
Names & synonyms
1-Methoxy-4-nitro-1H-benzotriazole40422-79-5DTXSID40318272RefChem:231344DTXCID802693951-methoxy-4-nitro-benzotriazoleNSC328164NSC-328164DS-0030841-Methoxy-4-nitro-1H-1,2,3-benzotriazole
Database identifiers
- CAS
40422-79-5- PubChem CID
- 332200
- DTXSID
DTXSID40318272
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
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Compound notes
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