Basic information
- CAS
37455-85-9- Standard SMILES
Cc1ccc(C)c2nonc12- InChIKey
HWZCSMWFFNWUEN-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 4,7-Dimethyl-2,1,3-benzoxadiazole
- IUPAC
- 4,7-dimethyl-2,1,3-benzoxadiazole
Names & synonyms
37455-85-94,7-dimethyl-2,1,3-benzoxadiazoleBenzofurazan, 4,7-dimethyl-2,1,3-Benzoxadiazole, 4,7-dimethyl-SCHEMBL679008DTXSID80958555
Database identifiers
- CAS
37455-85-9- PubChem CID
- 181529
- DTXSID
DTXSID80958555- Nikkaji
- J272.317D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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