1-[(2-Methylphenyl)methyl]-5-nitro-2,3-dihydroindole
Basic information
- CAS
879307-75-2- Standard SMILES
Cc1ccccc1CN1CCc2cc([N+](=O)[O-])ccc21- InChIKey
SEHGBIVLTONGKX-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 1-[(2-Methylphenyl)methyl]-5-nitro-2,3-dihydroindole
- IUPAC
- 1-[(2-methylphenyl)methyl]-5-nitro-2,3-dihydroindole
Names & synonyms
MLS0011760091-[(2-methylphenyl)methyl]-5-nitro-2,3-dihydroindoleCHEMBL1363647DTXSID101319805HMS2894L24AKOS033628952879307-75-2SMR000592614AB00750919-01Z1852799741-[(2-methylphenyl)methyl]-5-nitro-2,3-dihydro-1H-indole
Database identifiers
- CAS
879307-75-2- PubChem CID
- 9533729
- DTXSID
DTXSID101319805- ChEMBL
CHEMBL1363647
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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