Basic information
- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(C=Cc2ccccc2)s1- InChIKey
WNYMIWVEZVYPET-UHFFFAOYSA-N- Molecular formula
- C14H11NO4S
- Average molar mass
- 289.31 g/mol
Names & identifiers
- Preferred name
- Methyl 4-nitro-5-(2-phenylethenyl)thiophene-2-carboxylate
- IUPAC
- methyl 4-nitro-5-(2-phenylethenyl)thiophene-2-carboxylate
Names & synonyms
SCHEMBL2999531
Database identifiers
- PubChem CID
- 68471981
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Related reactions
1 records
Compound notes
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