| CAS Number | 1256819-31-4 |
| Catalog Number | AG000OF2(AGN-PC-0WCR3B) |
| Chemical Name | 1-(3-Chloro-5-Fluoropyridin-2-Yl)Ethanone |
| IUPAC Name | 1-(3-chloro-5-fluoropyridin-2-yl)ethanone |
| InChI | InChI=1S/C7H5ClFNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-3H,1H3 |
| InChI Key | IGLWAPFTHWPGCA-UHFFFAOYSA-N |
| MDL Number | MFCD18255337 |
| Molecular Formula | C7H5ClFNO |
| Molecular Weight | 173.5721 |
| SMILES | CC(=O)C1=NC=C(F)C=C1Cl |
| Synonyms | 1-(3-CHLORO-5-FLUOROPYRIDIN-2-YL)ETHANONE,
1256819-31-4,
MFCD18255337,
SCHEMBL18412762,
DTXSID90857409,
ZINC91692940,
AB74653,
FCH1152189,
AK186861,
AS-45781,
BL010219,
PC400016,
AX8318724,
C-0490,
Ethanone, 1-(3-chloro-5-fluoro-2-pyridinyl)-,
1-(3-CHLORO-5-FLUOROPYRIDIN-2-YL)ETHAN-1-ONE,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.571g/mol |
| Monoisotopic Mass | 173.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number