Dibenzothiophene, 3-nitro-
Basic information
- CAS
94764-55-3- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)sc1ccccc12- InChIKey
ZPEZGWPZHITXSF-UHFFFAOYSA-N- Molecular formula
- C12H7NO2S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.01974964
Names & identifiers
- Preferred name
- Dibenzothiophene, 3-nitro-
- IUPAC
- 3-nitrodibenzothiophene
- English name
- 3-Nitrodibenzothiophene
- Molecular formula
- C12H7NO2S
- Molecular weight
- 229.25
Names & synonyms
3-Nitrodibenzothiophene94764-55-3Dibenzothiophene, 3-nitro-CCRIS 8630DTXSID00241597RefChem:337264DTXCID301640883-nitrodibenzo[b,d]thiopheneSCHEMBL3083218ZPEZGWPZHITXSF-UHFFFAOYSA-N2-Nitro-9-thiafluorene, 4-Nitro-[1,1'-biphenyl]-2,2-diyl sulphideDB-411243
Database identifiers
- CAS
94764-55-3- PubChem CID
- 151997
- DTXSID
DTXSID00241597- Nikkaji
- J824.413H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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