| CAS Number | 816437-80-6 |
| Catalog Number | AG01FQJ9(AGN-PC-0OIKY5) |
| Chemical Name | NHPI-DA; 1,3-dioxoisoindolin-2-yl 2-diazoacetate |
| IUPAC Name | (1,3-dioxoisoindol-2-yl) 2-diazoacetate |
| InChI | InChI=1S/C10H5N3O4/c11-12-5-8(14)17-13-9(15)6-3-1-2-4-7(6)10(13)16/h1-5H |
| InChI Key | QMXJDVFBNTXEML-UHFFFAOYSA-N |
| Molecular Formula | C10H5N3O4 |
| Molecular Weight | 231.1644 |
| SMILES | [N-]=[N+]=CC(=O)ON1C(=O)C2=CC=CC=C2C1=O |
| Synonyms | SO-3001,
NHPI-DA; 1,3-dioxoisoindolin-2-yl 2-diazoacetate,
816437-80-6,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.028006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.16g/mol |
| Monoisotopic Mass | 231.028006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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