2-Oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
Basic information
- CAS
351995-31-8- Standard SMILES
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccccc1- InChIKey
HURWDNFROXJJJC-UHFFFAOYSA-N- Molecular formula
- C23H14ClNO5
- Average molar mass
- 419.8 g/mol
- Monoisotopic mass
- 419.0560502
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
- IUPAC
- phenacyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
- English name
- 2-oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
- Molecular formula
- C23H14ClNO5
- Molecular weight
- 419.81396
Names & synonyms
2-oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxoisoindoline-5-carboxylate2-oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylateOprea1_375618phenacyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylateSTK267990AKOS001678268ST50855833AK-918/11239040SR-01000494027SR-01000494027-12-oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate2-oxo-2-phenylethyl 2-(2-chlorophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate
Database identifiers
- CAS
351995-31-8- PubChem CID
- 983702
- EC Number
- 163-345-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
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