4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate
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Basic information
- CAS
348123-43-3- Standard SMILES
O=C(Oc1ccc(N2C(=O)C3CCCCC3C2=O)cc1)c1ccc(Cl)cc1- InChIKey
RWANDIDSFNHUPW-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO4
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.0924357
Names & identifiers
- Preferred name
- 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate
- IUPAC
- [4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-chlorobenzoate
- English name
- 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate
- Molecular formula
- C21H18ClNO4
- Molecular weight
- 383.82492
Names & synonyms
4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoateSTK252465ZINC02078069ZINC02078070ZINC02078072AKOS003236242AKOS022076012[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-chlorobenzoateAK-918/12221127
Database identifiers
- CAS
348123-43-3- PubChem CID
- 5064679
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 569
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Compound notes
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