ER4N9Luu2G
Basic information
- CAS
906540-47-4- Standard SMILES
O=C1O[C@@H](c2ccc(Cl)cc2)c2ccccc21- InChIKey
SUSCNWIPCFTMMQ-ZDUSSCGKSA-N- Molecular formula
- C14H9ClO2
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.0291072
Names & identifiers
- Preferred name
- ER4N9Luu2G
- IUPAC
- (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
Names & synonyms
ER4N9LUU2G(3S)-3-(4-Chlorophenyl)-1(3H)-isobenzofuranone3-(4-Chlorophenyl)-1(3H)-isobenzofuranone, (3S)-1(3H)-Isobenzofuranone, 3-(4-chlorophenyl)-, (3S)-906540-47-4
Database identifiers
- CAS
906540-47-4- PubChem CID
- 738147
- UNII
- ER4N9LUU2G
- Nikkaji
- J2.604.671H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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