Basic information
- Standard SMILES
Cc1nc2c([N+](=O)[O-])ccc(C#N)c2o1- InChIKey
AVGACCUFNKAULV-UHFFFAOYSA-N- Molecular formula
- C9H5N3O3
- Average molar mass
- 203.15 g/mol
Names & identifiers
- Preferred name
- 7-Cyano-2-methyl-4-nitrobenzoxazole
- IUPAC
- 2-methyl-4-nitro-1,3-benzoxazole-7-carbonitrile
Names & synonyms
SCHEMBL2967776AVGACCUFNKAULV-UHFFFAOYSA-N7-Cyano-2-methyl-4-nitrobenzoxazole2-Methyl-4-nitro-benzoxazole-7-carbonitrile
Database identifiers
- PubChem CID
- 21875286
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
Related reactions
16 records
Compound notes
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