3-Nitrostilbene
Basic information
- CAS
4714-26-5- Standard SMILES
O=[N+]([O-])c1cccc(/C=C/c2ccccc2)c1- InChIKey
NJYCKJGNJMIWCQ-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 3-Nitrostilbene
- IUPAC
- 1-nitro-3-[(E)-2-phenylethenyl]benzene
- English name
- 3-Nitro-trans-stilbene
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
3-NitrostilbeneStilbene, 3-nitro-1-nitro-3-(2-phenylethenyl)benzenem-Nitrostilbene4714-26-5Benzene, 1-nitro-3-(2-phenylethenyl)-CHEMBL18966233-Nitro-trans-stilbene(E)-3-nitrostilbeneNSC14260514064-52-91-Nitro-3-[(E)-2-phenylethenyl]benzene
Show more names
Benzene, 1-nitro-3-[(1E)-2-phenylethenyl]-SCHEMBL14053123-((E)-2-phenylvinyl)nitrobenzeneBDBM50212211AKOS002792503NSC-1426051-nitro-3-[(e)-2-phenylvinyl]benzeneNCGC00188287-01
Database identifiers
- CAS
4714-26-5- PubChem CID
- 977560
- ChEMBL
CHEMBL1896623- Nikkaji
- J145.993G、J496.403I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 362.1 · 362.1±22.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
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Related reactions
6 records
Compound notes
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