| CAS Number | 1020956-98-2 |
| Catalog Number | AG01A8PD |
| Chemical Name | 2-(5-chloro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(prop-2-yn-1-yl)acetamide |
| IUPAC Name | 2-(5-chloro-2,3-dioxoindol-1-yl)-N-prop-2-ynylacetamide |
| InChI | InChI=1S/C13H9ClN2O3/c1-2-5-15-11(17)7-16-10-4-3-8(14)6-9(10)12(18)13(16)19/h1,3-4,6H,5,7H2,(H,15,17) |
| InChI Key | LDBJZDVCSHAGIY-UHFFFAOYSA-N |
| MDL Number | MFCD12448422 |
| Molecular Formula | C13H9ClN2O3 |
| Molecular Weight | 276.6752 |
| SMILES | ClC1=CC2=C(N(C(C2=O)=O)CC(NCC#C)=O)C=C1 |
| Synonyms | 2-(5-chloro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(prop-2-yn-1-yl)acetamide,
1020956-98-2,
EN300-62241,
AC1Q3KIX,
ZINC19966938,
AKOS000246494,
IMED234977016,
MCULE-8945284420,
NE50944,
Z234895779,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.676g/mol |
| Monoisotopic Mass | 276.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number