Basic information
- CAS
6316-25-2- Standard SMILES
O=C(Oc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1- InChIKey
JIVZGIWNMFSCHH-UHFFFAOYSA-N- Molecular formula
- C14H9NO6
- Average molar mass
- 287.22 g/mol
- Monoisotopic mass
- 287.04298701
Names & identifiers
- Preferred name
- 6-Nitro-1,3-benzodioxol-5-yl benzoate
- IUPAC
- (6-nitro-1,3-benzodioxol-5-yl) benzoate
Names & synonyms
6316-25-26-nitro-1,3-benzodioxol-5-yl benzoateNSC22581DTXSID30281709NSC-22581(6-nitro-1,3-benzodioxol-5-yl)benzoate6-NITRO-2H-1,3-BENZODIOXOL-5-YL BENZOATE
Database identifiers
- CAS
6316-25-2- PubChem CID
- 229152
- DTXSID
DTXSID30281709
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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