| CAS Number | 1501871-90-4 |
| Catalog Number | AG01DTPY |
| Chemical Name | 2,2-Difluoro-2-(quinolin-8-yl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-quinolin-8-ylacetic acid |
| InChI | InChI=1S/C11H7F2NO2/c12-11(13,10(15)16)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H,(H,15,16) |
| InChI Key | AEUQSOMHEJHJIT-UHFFFAOYSA-N |
| MDL Number | MFCD24071309 |
| Molecular Formula | C11H7F2NO2 |
| Molecular Weight | 223.1756 |
| SMILES | OC(C(C1=C2C(C=CC=N2)=CC=C1)(F)F)=O |
| Synonyms | AKOS019795926,
2,2-Difluoro-2-(quinolin-8-yl)acetic acid,
1501871-90-4,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.179g/mol |
| Monoisotopic Mass | 223.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number