Basic information
- CAS
3704-42-5- Standard SMILES
O=[N+]([O-])c1ccc(-c2cscn2)cc1- InChIKey
UQFMVAQNKKKVDG-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2S
- Average molar mass
- 206.22 g/mol
- Monoisotopic mass
- 206.01499861
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)-1,3-thiazole
- IUPAC
- 4-(4-nitrophenyl)-1,3-thiazole
Names & synonyms
4-(4-nitrophenyl)-1,3-thiazole3704-42-5Thiazole, 4-(4-nitrophenyl)-4-(4-Nitrophenyl)thiazoleBRN 01667094-27-00-01143 (Beilstein Handbook Reference)SCHEMBL2748304SCHEMBL6756644DTXSID10190542DA-22465EN300-692165
Database identifiers
- CAS
3704-42-5- PubChem CID
- 199103
- DTXSID
DTXSID10190542
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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