2H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(4-nitrophenyl)-
Basic information
- CAS
61862-99-5- Standard SMILES
CC1CCc2cn(-c3ccc([N+](=O)[O-])cc3)cc2C1- InChIKey
XGWIEURBBVORDG-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 2H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(4-nitrophenyl)-
- IUPAC
- 5-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydroisoindole
Names & synonyms
61862-99-52H-Isoindole, 4,5,6,7-tetrahydro-5-methyl-2-(4-nitrophenyl)-DTXSID004854545-Methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-isoindole
Database identifiers
- CAS
61862-99-5- PubChem CID
- 12295488
- DTXSID
DTXSID00485454
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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