Basic information
- CAS
913391-46-5- Standard SMILES
Cc1ccc(I)c2c1CNC2=O- InChIKey
VCMPBTAIQGTIAA-UHFFFAOYSA-N- Molecular formula
- C9H8INO
- Average molar mass
- 273.07 g/mol
- Monoisotopic mass
- 272.96506188
Names & identifiers
- Preferred name
- 7-Iodo-4-methylisoindolinone
- IUPAC
- 7-iodo-4-methyl-2,3-dihydroisoindol-1-one
Names & synonyms
7-iodo-4-methylisoindolinone913391-46-5SCHEMBL3039244VCMPBTAIQGTIAA-UHFFFAOYSA-NDTXSID4012543972,3-Dihydro-7-iodo-4-methyl-1H-isoindol-1-one7-Iodo-4-methyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
913391-46-5- PubChem CID
- 68489093
- DTXSID
DTXSID401254397
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Related reactions
2 records
Compound notes
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