Basic information
- CAS
5025-65-0- Standard SMILES
COC(=O)c1ccccc1C(=Cc1c(I)cccc1OC)[N+](=O)[O-]- InChIKey
RUDGJGVOFSGKJA-UHFFFAOYSA-N- Molecular formula
- C17H14INO5
- Average molar mass
- 439.2 g/mol
- Monoisotopic mass
- 438.99167
Names & identifiers
- Preferred name
- Methyl 2-[2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]benzoate
- IUPAC
- methyl 2-[2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]benzoate
Names & synonyms
5025-65-0methyl 2-[2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]benzoateDTXSID90293484Methyl 2-[2-(2-iodo-6-methoxyphenyl)-1-nitroethen-1-yl]benzoate
Database identifiers
- CAS
5025-65-0- PubChem CID
- 259682
- DTXSID
DTXSID90293484
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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