Basic information
- CAS
4629-58-7- Standard SMILES
Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
CHIJEKAVDZLCJA-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- 4-[2-(4-Nitrophenyl)ethenyl]aniline
- IUPAC
- 4-[2-(4-nitrophenyl)ethenyl]aniline
Names & synonyms
4-[2-(4-nitrophenyl)ethenyl]aniline4629-58-74-nitro-4'-aminostilbeneOprea1_455647SCHEMBL9008944-Amino-4a(2)-nitrostilbenestilbene, 4-amino-4'-nitro-CHIJEKAVDZLCJA-UHFFFAOYSA-NDTXSID901024472EU-0067760
Database identifiers
- CAS
4629-58-7- PubChem CID
- 20744
- DTXSID
DTXSID901024472- EC Number
- 225-045-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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