Dibenzo(b,e)(1,4)dioxin, 1-nitro-
Basic information
- CAS
94514-48-4- Standard SMILES
O=[N+]([O-])c1cccc2c1Oc1ccccc1O2- InChIKey
VAQRAWXEWFTEQC-UHFFFAOYSA-N- Molecular formula
- C12H7NO4
- Average molar mass
- 229.19 g/mol
- Monoisotopic mass
- 229.0375077
Names & identifiers
- Preferred name
- Dibenzo(b,e)(1,4)dioxin, 1-nitro-
- IUPAC
- 1-nitrodibenzo-p-dioxin
Names & synonyms
94514-48-4Dibenzo(b,e)(1,4)dioxin, 1-nitro-NSC7424081-nitrodibenzo-p-dioxin1-nitrooxanthreneDibenzo[b,e][1,4]dioxin, 1-nitro-mononitrodibenzodioxineDibenzo[b,4]dioxin, 1-nitro-SCHEMBL15009561DTXSID30915471NSC 742408NSC-742408
Database identifiers
- CAS
94514-48-4- PubChem CID
- 178745
- DTXSID
DTXSID30915471
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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