N-(4-chloro-2-fluoro-5-hydroxymethylphenyl)-3,4,5,6-tetrahydrophthalimide
Basic information
- CAS
101329-83-3- Standard SMILES
O=C1C2=C(CCCC2)C(=O)N1c1cc(CO)c(Cl)cc1F- InChIKey
XDTIEVSJCJJDHD-UHFFFAOYSA-N- Molecular formula
- C15H13ClFNO3
- Average molar mass
- 309.72 g/mol
- Monoisotopic mass
- 309.0567991
Names & identifiers
- Preferred name
- N-(4-chloro-2-fluoro-5-hydroxymethylphenyl)-3,4,5,6-tetrahydrophthalimide
- IUPAC
- 2-[4-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Names & synonyms
N-(4-chloro-2-fluoro-5-hydroxymethylphenyl)-3,4,5,6-tetrahydrophthalimideN-(4-chloro-2-fluoro-5-hydroxymethylphenyl]-3,4,5,6-tetrahydrophthalimideSCHEMBL10573081XDTIEVSJCJJDHD-UHFFFAOYSA-NDTXSID201120728101329-83-32-[4-Chloro-2-fluoro-5-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
101329-83-3- PubChem CID
- 13629754
- DTXSID
DTXSID201120728
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
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Related reactions
3 records
Compound notes
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