2-(2-Methyl-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
33238-32-3- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O- InChIKey
GFEUVENJTFIBRE-UHFFFAOYSA-N- Molecular formula
- C15H10N2O4
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.0640568
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-methyl-5-nitrophenyl)isoindole-1,3-dione
Names & synonyms
33238-32-32-(2-methyl-5-nitrophenyl)-1H-isoindole-1,3(2H)-dioneDTXSID50324304RefChem:250875DTXCID30275421ZINC41681N-(2-methyl-5-nitrophenyl)phthalimideNSC4063442-(2-methyl-5-nitro-phenyl)isoindole-1,3-dioneOprea1_399919Oprea1_669635CHEMBL279888
Show more names
SCHEMBL18806465MFCD00411785STK014849ZINC00041681AKOS000734703CCG-311820NSC-406344ZINC000000041681
Database identifiers
- CAS
33238-32-3- PubChem CID
- 347571
- DTXSID
DTXSID50324304- ChEMBL
CHEMBL279888
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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