| CAS Number | 1228552-97-3 |
| Catalog Number | AG01ACW4(AGN-PC-0WNLKY) |
| Chemical Name | 2-(5-Chloro-2-oxo-2,3-dihydro-1h-indol-3-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid |
| InChI | InChI=1S/C10H8ClNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14) |
| InChI Key | KCRLPVUNGCRWTF-UHFFFAOYSA-N |
| MDL Number | MFCD16618443 |
| Molecular Formula | C10H8ClNO3 |
| Molecular Weight | 225.6284 |
| SMILES | O=C(O)CC1C(NC2=C1C=C(Cl)C=C2)=O |
| Synonyms | 1228552-97-3,
(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
2-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
2-(5-Chloro-2-oxoindolin-3-yl)acetic acid,
(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid,
MFCD16618443,
STL429065,
AKOS005174315,
Z-1919,
(5-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid,
Z2609473550,
2-(5-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.628g/mol |
| Monoisotopic Mass | 225.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number