1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-
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Basic information
- CAS
84478-57-9- Standard SMILES
COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Br- InChIKey
AONOJGSDLZFBLG-UHFFFAOYSA-N- Molecular formula
- C15H13BrFNO3
- Average molar mass
- 354.17 g/mol
- Monoisotopic mass
- 353.0062836
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-
- IUPAC
- 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Names & synonyms
84478-57-91H-Isoindole-1,3(2H)-dione, 2-(4-bromo-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-SCHEMBL7891292DTXSID30233460AONOJGSDLZFBLG-UHFFFAOYSA-N2-(4-BROMO-2-FLUORO-5-METHOXYPHENYL)-4,5,6,7-TETRAHYDRO-1H-ISOINDOLE-1,3(2H)-DIONEN-(4-bromo-2-fluoro-5-methoxyphenyl)-3,4,5,6-tetrahydrophthalimide
Database identifiers
- CAS
84478-57-9- PubChem CID
- 158653
- DTXSID
DTXSID30233460
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
4 records
Compound notes
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