| CAS Number | 1368516-03-3 |
| Catalog Number | AG01BTG8 |
| Chemical Name | 2-(7-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(7-bromo-2-oxo-1,3-dihydroindol-3-yl)acetic acid |
| InChI | InChI=1S/C10H8BrNO3/c11-7-3-1-2-5-6(4-8(13)14)10(15)12-9(5)7/h1-3,6H,4H2,(H,12,15)(H,13,14) |
| InChI Key | BLCDNKCOJZBYGV-UHFFFAOYSA-N |
| MDL Number | MFCD21109921 |
| Molecular Formula | C10H8BrNO3 |
| Molecular Weight | 270.0794 |
| SMILES | OC(CC1C2=CC=CC(Br)=C2NC1=O)=O |
| Synonyms | 2-(7-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
1368516-03-3,
AKOS014243859,
|
| 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 |
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Certificate of Analysis
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