| CAS Number | 731011-86-2 |
| Catalog Number | AG018SCD(AGN-PC-0WBPWJ) |
| Chemical Name | 2-Chloro-n-(pyrimidin-2-yl)propanamide |
| IUPAC Name | 2-chloro-N-pyrimidin-2-ylpropanamide |
| InChI | InChI=1S/C7H8ClN3O/c1-5(8)6(12)11-7-9-3-2-4-10-7/h2-5H,1H3,(H,9,10,11,12) |
| InChI Key | JPOVGSPRYNYRMK-UHFFFAOYSA-N |
| MDL Number | MFCD04626496 |
| Molecular Formula | C7H8ClN3O |
| Molecular Weight | 185.6109 |
| SMILES | CC(Cl)C(NC1=NC=CC=N1)=O |
| Synonyms | 2-Chloro-N-(pyrimidin-2-yl)propanamide,
731011-86-2,
2-chloro-N-pyrimidin-2-ylpropanamide,
AC1MVHXB,
AC1Q2AXW,
CTK6A3237,
AKOS000116954,
AKOS017269035,
MCULE-8750993950,
NE28612,
UPCMLD0ENAT0520-4077:001,
EN300-08477,
F8889-8170,
ZINC03887380,
CID3733164,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.611g/mol |
| Monoisotopic Mass | 185.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number