2-(3-carboxy-4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Basic information
- CAS
5637-40-1- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(C(=O)O)c1)C2=O- InChIKey
KHPPYOQNAYCMOG-UHFFFAOYSA-N- Molecular formula
- C16H8ClNO6
- Average molar mass
- 345.69 g/mol
- Monoisotopic mass
- 345.0040147
Names & identifiers
- Preferred name
- 2-(3-carboxy-4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- IUPAC
- 2-(3-carboxy-4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Names & synonyms
2-(3-carboxy-4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-(3-carboxy-4-chlorophenyl)-1,3-dioxo-5-isoindolinecarboxylic acidOprea1_307737DTXSID809718052-(3-carboxy-4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acidSTK674385AKOS001612240EU-0018373AB00091476-01AG-205/37107108SR-01000417733SR-01000417733-1
Database identifiers
- CAS
5637-40-1- PubChem CID
- 694940
- DTXSID
DTXSID80971805
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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