3-(4-Iodophenyl)-6-nitro-2H-1-benzopyran-2-one
Basic information
- CAS
332030-56-5- Standard SMILES
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccc(I)cc1- InChIKey
JXAMPXCVECISOL-UHFFFAOYSA-N- Molecular formula
- C15H8INO4
- Average molar mass
- 393.13 g/mol
- Monoisotopic mass
- 392.94981
Names & identifiers
- Preferred name
- 3-(4-Iodophenyl)-6-nitro-2H-1-benzopyran-2-one
- IUPAC
- 3-(4-iodophenyl)-6-nitrochromen-2-one
Names & synonyms
332030-56-53-(4-Iodophenyl)-6-nitro-2H-1-benzopyran-2-oneRefChem:2746653-(4-iodophenyl)-6-nitrochromen-2-one3-(4-Iodophenyl)-6-nitro-2H-chromen-2-one3-(4-Iodo-phenyl)-6-nitro-chromen-2-oneJXAMPXCVECISOL-UHFFFAOYSA-NDTXSID601245607AKOS000674103ST502409913-(4-Iodophenyl)-6-nitro-2H-chromen-2-one #AB00092144-01
Database identifiers
- CAS
332030-56-5- PubChem CID
- 633802
- DTXSID
DTXSID601245607
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
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Compound notes
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