Basic information
- CAS
839-55-4- Standard SMILES
COc1c(I)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2- InChIKey
XZFSDTYNGYJTMU-UHFFFAOYSA-N- Molecular formula
- C10H8INO6
- Average molar mass
- 365.08 g/mol
- Monoisotopic mass
- 364.93963
Names & identifiers
- Preferred name
- 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
- IUPAC
- 4-iodo-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one
- English name
- 4-iodo-5,6-dimethoxy-7-nitro-3H-isobenzofuran-1-one
- Molecular formula
- C10H8INO6
- Molecular weight
- 0
Names & synonyms
839-55-4NSC729504-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-oneDTXSID70291064NSC-729504-iodo-5,6-dimethoxy-7-nitro-3H-isobenzofuran-1-one
Database identifiers
- CAS
839-55-4- PubChem CID
- 251925
- DTXSID
DTXSID70291064
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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