Basic information
- CAS
166658-70-4- Standard SMILES
O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl- InChIKey
CRAINYVWWAWUGM-UHFFFAOYSA-N- Molecular formula
- C14H7ClN2O4
- Average molar mass
- 302.67 g/mol
- Monoisotopic mass
- 302.0094344
Names & identifiers
- Preferred name
- 2-(2-chloro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
Names & synonyms
2-(2-chloro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione166658-70-4Oprea1_636018DTXSID101216445STK364432AKOS001588947EU-0067787ST51059624SR-01000397374SR-01000397374-12-(2-chloro-5-nitrophenyl)benzo[c]azoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(2-chloro-5-nitrophenyl)-
Database identifiers
- CAS
166658-70-4- PubChem CID
- 677455
- DTXSID
DTXSID101216445- Nikkaji
- J28.024K
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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