| CAS Number | 1368757-01-0 |
| Catalog Number | AG01BCV2(AGN-PC-0WOUFA) |
| Chemical Name | 2-(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)acetic acid |
| InChI | InChI=1S/C10H8BrNO3/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 | YMNPXOWZYMQCPR-UHFFFAOYSA-N |
| MDL Number | MFCD21109934 |
| Molecular Formula | C10H8BrNO3 |
| Molecular Weight | 270.0794 |
| SMILES | BrC=1C=C2C(C(NC2=CC1)=O)CC(=O)O |
| Synonyms | 2-(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
1368757-01-0,
AKOS014244903,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.082g/mol |
| Monoisotopic Mass | 268.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number