Basic information
- CAS
59788-14-6- Standard SMILES
Cn1cc2cc3ccccc3cc2c1- InChIKey
RXKOOIMNUKSBFJ-UHFFFAOYSA-N- Molecular formula
- C13H11N
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.08914936
Names & identifiers
- Preferred name
- 2H-Benz(f)isoindole, 2-methyl-
- IUPAC
- 2-methylbenzo[f]isoindole
Names & synonyms
2H-Benz(f)isoindole, 2-methyl-59788-14-6DTXSID60208520RefChem:268463DTXCID101310112-methyl-2H-benzo[f]isoindole2H-Benz[f]isoindole,2-methyl-SCHEMBL4642763
Database identifiers
- CAS
59788-14-6- PubChem CID
- 143643
- DTXSID
DTXSID60208520
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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