3-[(Z)-2-nitroethenyl]-1-benzothiophene
Basic information
- CAS
19985-68-3- Standard SMILES
O=[N+]([O-])/C=C\c1csc2ccccc12- InChIKey
QGDOPMZVTCUICZ-WAYWQWQTSA-N- Molecular formula
- C10H7NO2S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.01974964
Names & identifiers
- Preferred name
- 3-[(Z)-2-nitroethenyl]-1-benzothiophene
- IUPAC
- 3-[(Z)-2-nitroethenyl]-1-benzothiophene
Names & synonyms
NSC10895619985-68-3DTXSID80419010NSC-1089563-[(Z)-2-Nitroethen-1-yl]-1-benzothiophene
Database identifiers
- CAS
19985-68-3- PubChem CID
- 5381027
- DTXSID
DTXSID80419010
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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