1-Methyl-4-nitrobenzotriazole
Basic information
- CAS
27799-86-6- Standard SMILES
Cn1nnc2c([N+](=O)[O-])cccc21- InChIKey
HFYKTFXFSPENJV-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Names & identifiers
- Preferred name
- 1-Methyl-4-nitrobenzotriazole
- IUPAC
- 1-methyl-4-nitrobenzotriazole
- English name
- 1-Methyl-4-nitro-1H-benzotriazole
- Molecular formula
- C7H6N4O2
- Molecular weight
- 178.15
Names & synonyms
1-methyl-4-nitrobenzotriazole27799-86-6CHEMBL40736081H-Benzotriazole, 1-methyl-4-nitro-1-Methyl-4-nitro-1H-1,2,3-benzotriazoleSCHEMBL11593131DTXSID70345016HFYKTFXFSPENJV-UHFFFAOYSA-NBDBM50260813MFCD004648671-Methyl-4-nitro-1H-1,2,3-benzotriazole #1-Methyl-4-nitro-1H-benzotriazole
Database identifiers
- CAS
27799-86-6- PubChem CID
- 601157
- DTXSID
DTXSID70345016- ChEMBL
CHEMBL4073608- Nikkaji
- J102.666F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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