2-Ethyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
Basic information
- CAS
1256961-21-3- Standard SMILES
CCN1Cc2c(cccc2[N+](=O)[O-])C1=O- InChIKey
MTCQWJLNHOOGTI-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 2-Ethyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 2-ethyl-4-nitro-3H-isoindol-1-one
Names & synonyms
2-Ethyl-4-nitro-2,3-dihydro-1H-isoindol-1-one1256961-21-3SCHEMBL1948769DTXSID601253107EN300-7908212-Ethyl-2,3-dihydro-4-nitro-1H-isoindol-1-one
Database identifiers
- CAS
1256961-21-3- PubChem CID
- 67222811
- DTXSID
DTXSID601253107
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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