Basic information
- CAS
18378-30-8- Standard SMILES
CNc1ccc2nonc2c1[N+](=O)[O-]- InChIKey
XWKCLHMIQVWXPI-UHFFFAOYSA-N- Molecular formula
- C7H6N4O3
- Average molar mass
- 194.15 g/mol
- Monoisotopic mass
- 194.04399007
Names & identifiers
- Preferred name
- N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
- IUPAC
- N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Names & synonyms
N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine18378-30-8DTXSID801259270
Database identifiers
- CAS
18378-30-8- PubChem CID
- 2836613
- DTXSID
DTXSID801259270
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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