Basic information
- Standard SMILES
CC(C)(CCn1c(=O)oc2ccccc21)[N+](=O)[O-]- InChIKey
HBPKVCABDZSDHV-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
Names & identifiers
- Preferred name
- 3-(3-methyl-3-nitro-butyl)-3H-benzoxazol-2-one
- IUPAC
- 3-(3-methyl-3-nitrobutyl)-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL1858761HBPKVCABDZSDHV-UHFFFAOYSA-NDB-1932753-(3-Methyl-3-nitrobutyl)-2(3h)-benzoxazolone3-(3-methyl-3-nitro-butyl)-3H-benzoxazol-2-one1259161-76-6
Database identifiers
- PubChem CID
- 57435840
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
4 records
Compound notes
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