3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
Basic information
- CAS
303985-58-2- Standard SMILES
N#Cc1sc2ccccc2c1OCc1ccc([N+](=O)[O-])cc1- InChIKey
BHMNLUULXPVJFJ-UHFFFAOYSA-N- Molecular formula
- C16H10N2O3S
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.04121336
Names & identifiers
- Preferred name
- 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
- IUPAC
- 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
Names & synonyms
3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile303985-58-2Oprea1_5393173-[(4-nitrobenzyl)oxy]-1-benzothiophene-2-carbonitrileDTXSID801191402AKOS00507821111L-624S3-((4-Nitrobenzyl)oxy)benzo[b]thiophene-2-carbonitrile3-[(4-Nitrophenyl)methoxy]benzo[b]thiophene-2-carbonitrile
Database identifiers
- CAS
303985-58-2- PubChem CID
- 1471897
- DTXSID
DTXSID801191402
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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