| CAS Number | 294181-97-8 |
| Catalog Number | AG01DTQC(AGN-PC-0N5RGY) |
| Chemical Name | ETHYL 2,2-DIFLUORO-2-QUINOLIN-2-YLACETATE |
| IUPAC Name | ethyl 2,2-difluoro-2-quinolin-2-ylacetate |
| InChI | InChI=1S/C13H11F2NO2/c1-2-18-12(17)13(14,15)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3 |
| InChI Key | JYKWDCWQFNQIQB-UHFFFAOYSA-N |
| MDL Number | MFCD27845945 |
| Molecular Formula | C13H11F2NO2 |
| Molecular Weight | 251.2287 |
| SMILES | O=C(OCC)C(F)(F)C2=CC=C1C=CC=CC1=N2 |
| Synonyms | SCHEMBL14352068,
JYKWDCWQFNQIQB-UHFFFAOYSA-N,
ZINC38977817,
ethyl 2,2-difluoro-2-quinolin-2-ylacetate,
Difluoroquinolin-2-yl acetic acid ethyl ester,
2,2-Difluoro-2-(quinolin-2-yl)-acetic acid ethyl ester,
alpha,alpha-Difluoro-2-quinolineacetic acid ethyl ester,
294181-97-8,
CID10514875,
Ethyl 2,2-difluoro-2-quinolin-2-yl-acetate,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.233g/mol |
| Monoisotopic Mass | 251.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number