| CAS Number | 210295-81-1 |
| Catalog Number | AG00I40S(AGN-PC-0O7QPF) |
| Chemical Name | Ethanone, 1-(6-chloro-4-pyrimidinyl)- |
| IUPAC Name | 1-(6-chloropyrimidin-4-yl)ethanone |
| InChI | InChI=1S/C6H5ClN2O/c1-4(10)5-2-6(7)9-3-8-5/h2-3H,1H3 |
| InChI Key | QVHIQLLZSWXCBL-UHFFFAOYSA-N |
| MDL Number | MFCD18449559 |
| Molecular Formula | C6H5ClN2O |
| Molecular Weight | 156.5697 |
| SMILES | CC(=O)C1=CC(=NC=N1)Cl |
| Synonyms | 210295-81-1,
1-(6-CHLOROPYRIMIDIN-4-YL)ETHANONE,
1-(6-Chloropyrimidin-4-yl)ethan-1-one,
Ethanone, 1-(6-chloro-4-pyrimidinyl)-,
4-Acetyl-6-chloropyrimidine,
SCHEMBL882676,
QVHIQLLZSWXCBL-UHFFFAOYSA-N,
1-(6-chloro-4-pyrimidinyl)ethanone,
MFCD18449559,
ZINC95763986,
AB75829,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.569g/mol |
| Monoisotopic Mass | 156.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number