| CAS Number | 1007455-12-0 |
| Catalog Number | AG00H9B9(AGN-PC-0WG44L) |
| Chemical Name | 2-Benzyl-5-methoxyisoindoline-1,3-dione |
| IUPAC Name | 2-benzyl-5-methoxyisoindole-1,3-dione |
| InChI | InChI=1S/C16H13NO3/c1-20-12-7-8-13-14(9-12)16(19)17(15(13)18)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
| InChI Key | RQVOHZWHQWDVNU-UHFFFAOYSA-N |
| MDL Number | MFCD20482371 |
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.2793 |
| SMILES | COc1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1 |
| Synonyms | 2-Benzyl-5-methoxyisoindoline-1,3-dione,
1007455-12-0,
SCHEMBL4728227,
MFCD20482371,
ZINC166453568,
CS-0037306,
2-benzyl-5-methoxyphthalimide,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.284g/mol |
| Monoisotopic Mass | 267.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number