Basic information
- CAS
101126-64-1- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)Oc1cc(Cl)ccc1O2- InChIKey
VZIBZXBMTCZVMJ-UHFFFAOYSA-N- Molecular formula
- C12H6ClNO4
- Average molar mass
- 263.63 g/mol
- Monoisotopic mass
- 262.9985354
Names & identifiers
- Preferred name
- Dibenzo(b,e)(1,4)dioxin, 2-chloro-8-nitro-
- IUPAC
- 2-chloro-8-nitrodibenzo-p-dioxin
Names & synonyms
Dibenzo(b,e)(1,4)dioxin, 2-chloro-8-nitro-101126-64-12-chloro-8-nitrooxanthrene2-Chloro-8-nitrodibenzo(b,e)(1,4)dioxinDTXSID40143743
Database identifiers
- CAS
101126-64-1- PubChem CID
- 149102
- DTXSID
DTXSID40143743
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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