| CAS Number | 940271-56-7 |
| Catalog Number | AG019PIN |
| Chemical Name | 1-(Chloroacetyl)-5-(2-methyl-1,3-thiazol-4-yl)indoline |
| IUPAC Name | 2-chloro-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone |
| InChI | InChI=1S/C14H13ClN2OS/c1-9-16-12(8-19-9)10-2-3-13-11(6-10)4-5-17(13)14(18)7-15/h2-3,6,8H,4-5,7H2,1H3 |
| InChI Key | HCYKAKLBUXPOIM-UHFFFAOYSA-N |
| MDL Number | MFCD09389741 |
| Molecular Formula | C14H13ClN2OS |
| Molecular Weight | 292.7838 |
| SMILES | CC1SC=C(C2=CC3=C(N(C(CCl)=O)CC3)C=C2)N=1 |
| Synonyms | 2-chloro-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one,
940271-56-7,
1-(chloroacetyl)-5-(2-methyl-1,3-thiazol-4-yl)indoline,
AC1Q2OSL,
CTK6H4997,
ZINC12504955,
AKOS009084100,
MCULE-6107254293,
NE14262,
EN300-23821,
Z235361343,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.781g/mol |
| Monoisotopic Mass | 292.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number