Basic information
- Standard SMILES
N#Cc1ccsc1Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
OKSIFJSGKAMLIH-UHFFFAOYSA-N- Molecular formula
- C11H6ClN3O2S
- Average molar mass
- 279.7 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-nitro-phenylamino)-thiophene-3-carbonitrile
- IUPAC
- 2-(4-chloro-2-nitroanilino)thiophene-3-carbonitrile
Names & synonyms
SCHEMBL4836315OKSIFJSGKAMLIH-UHFFFAOYSA-N2-(4-Chloro-2-nitro-phenylamino)-thiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 69210302
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
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