AI-204/31726045
Basic information
- CAS
53555-03-6- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)cc1- InChIKey
ATJTXDCEHWEBNN-UHFFFAOYSA-N- Molecular formula
- C14H7ClN2O4
- Average molar mass
- 302.67 g/mol
- Monoisotopic mass
- 302.0094344
Names & identifiers
- Preferred name
- AI-204/31726045
- IUPAC
- 2-(4-chlorophenyl)-4-nitroisoindole-1,3-dione
- English name
- 2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C14H7ClN2O4
- Molecular weight
- 302.66938
Names & synonyms
53555-03-6DTXSID00354075AI-204/31726045RefChem:317844DTXCID503051382-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione2-(4-Chlorophenyl)-4-nitroisoindoline-1,3-dione2-(4-chlorophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione2-(4-chlorophenyl)-4-nitroisoindole-1,3-dioneOprea1_457718Oprea1_488478STK289899
Show more names
AKOS001591744SR-01000391574SR-01000391574-1
Database identifiers
- CAS
53555-03-6- PubChem CID
- 762860
- DTXSID
DTXSID00354075
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
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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