Basic information
- CAS
71721-78-3- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)Oc1cc(Cl)c(Cl)cc1O2- InChIKey
QUPDTYKBWONTFE-UHFFFAOYSA-N- Molecular formula
- C12H5Cl2NO4
- Average molar mass
- 298.07 g/mol
- Monoisotopic mass
- 296.959563
Names & identifiers
- Preferred name
- 2,3-Dichloro-7-nitrodibenzo-4-dioxin
- IUPAC
- 2,3-dichloro-7-nitrodibenzo-p-dioxin
- English name
- 2,3-dichloro-7-nitrodibenzo-4-dioxin
- Molecular formula
- C12H5Cl2NO4
- Molecular weight
- 298.08
Names & synonyms
71721-78-32,3-Dichloro-7-nitrodibenzo-4-dioxin2,3-Dichloro-7-nitro-dibenzo-p-dioxinDTXSID70221947RefChem:816022,3-DNBDDTXCID001444387-Nitro-2,3-dichlorodibenzo-p-dioxin2,3-dichloro-7-nitrodibenzo-p-dioxinCCRIS 26662,3-dichloro-7-nitrooxanthreneDIBENZO-p-DIOXIN, 2,3-DICHLORO-7-NITRO-
Show more names
2,3-dichloro-7-nitrodibenzo[b,e][1,4]dioxine
Dibenzo[b,e][1,4]dioxin, 2,3-dichloro-7-nitro-CHEMBL165863LV24U22TP22,3-Dichloro-7-nitrodibenzo[b,e][1,4]dioxin
Database identifiers
- CAS
71721-78-3- PubChem CID
- 51387
- DTXSID
DTXSID70221947- ChEMBL
CHEMBL165863- UNII
- LV24U22TP2
- Nikkaji
- J74.769F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Chemistry & industry
Suppliers2 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…