| CAS Number | 790681-49-1 |
| Catalog Number | AG00ID04(AGN-PC-0WP1TU) |
| Chemical Name | 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzamide |
| IUPAC Name | 4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide |
| InChI | InChI=1S/C16H12N2O3/c17-14(19)11-7-5-10(6-8-11)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2,(H2,17,19) |
| InChI Key | JBJSDZAIGWLMJA-UHFFFAOYSA-N |
| MDL Number | MFCD06358618 |
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.2781 |
| SMILES | NC(=O)c1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 790681-49-1,
4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide,
4-((1,3-Dioxoisoindolin-2-yl)methyl)benzamide,
AC1M8P09,
ZINC3399034,
AKOS001082577,
MCULE-3002366227,
Z57033891,
4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzamide,
ZINC03399034,
CID2517526,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.283g/mol |
| Monoisotopic Mass | 280.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number