Basic information
- CAS
88796-51-4- Standard SMILES
N#Cc1c(NC=C(C=O)[N+](=O)[O-])csc1-c1ccccc1- InChIKey
NIOAONSSYOZQGU-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3S
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.03646233
Names & identifiers
- Preferred name
- 4-[(2-Nitro-3-oxoprop-1-en-1-yl)amino]-2-phenylthiophene-3-carbonitrile
- IUPAC
- 4-[(2-nitro-3-oxoprop-1-enyl)amino]-2-phenylthiophene-3-carbonitrile
Names & synonyms
88796-51-4DTXSID707502224-[(2-Nitro-3-oxoprop-1-en-1-yl)amino]-2-phenylthiophene-3-carbonitrile
Database identifiers
- CAS
88796-51-4- PubChem CID
- 71320249
- DTXSID
DTXSID70750222
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…