| CAS Number | 896139-36-9 |
| Catalog Number | AG00IFS4(AGN-PC-09RNWD) |
| Chemical Name | 1-(4-Chloro-2-pyridinyl)-1-propanone |
| IUPAC Name | 1-(4-chloropyridin-2-yl)propan-1-one |
| InChI | InChI=1S/C8H8ClNO/c1-2-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3 |
| InChI Key | BYWBPEJZCDHZJO-UHFFFAOYSA-N |
| MDL Number | MFCD09863875 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | CCC(=O)c1cc(ccn1)Cl |
| Synonyms | 1-(4-CHLOROPYRIDIN-2-YL)PROPAN-1-ONE,
896139-36-9,
1-Propanone, 1-(4-chloro-2-pyridinyl)-,
AK146218,
FCH874962,
MFCD09863875,
ZINC11919394,
AKOS006314206,
DS-8477,
AJ-60456,
SC-32512,
AX8283883,
4CH-001633,
CS-0061426,
FT-0699167,
ST24037352,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.608g/mol |
| Monoisotopic Mass | 169.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number