| CAS Number | 95339-61-0 |
| Catalog Number | AG00IIZK(AGN-PC-0CJKHE) |
| Chemical Name | 2-[3-(1,3-Dioxoisoindol-2-yl)phenyl]acetonitrile |
| IUPAC Name | 2-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetonitrile |
| InChI | InChI=1S/C16H10N2O2/c17-9-8-11-4-3-5-12(10-11)18-15(19)13-6-1-2-7-14(13)16(18)20/h1-7,10H,8H2 |
| InChI Key | FQMAXEIWLQXXLM-UHFFFAOYSA-N |
| MDL Number | MFCD28122692 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | N#CCc1cccc(c1)N1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 2-(3-(1,3-Dioxoisoindolin-2-yl)phenyl)acetonitrile,
95339-61-0,
SCHEMBL15827532,
ZINC202157493,
2-[3-(1,3-DIOXOISOINDOL-2-YL)PHENYL]ACETONITRILE,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.268g/mol |
| Monoisotopic Mass | 262.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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