Basic information
- CAS
60651-99-2- Standard SMILES
COC(=O)c1c2ccccc2cn1Cc1ccccc1- InChIKey
VKPXZZWAOKXOAJ-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- Methyl 2-benzyl-2H-isoindole-1-carboxylate
- IUPAC
- methyl 2-benzylisoindole-1-carboxylate
Names & synonyms
Methyl 2-benzyl-2H-isoindole-1-carboxylate60651-99-2DTXSID70314843RefChem:354105DTXCID10265966NSC289128NSC-289128
Database identifiers
- CAS
60651-99-2- PubChem CID
- 324285
- DTXSID
DTXSID70314843
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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