| CAS Number | 1196156-89-4 |
| Catalog Number | AG008WPT |
| Chemical Name | 2-Chloro-5-ethynylpyrimidine |
| IUPAC Name | 2-chloro-5-ethynylpyrimidine |
| InChI | InChI=1S/C6H3ClN2/c1-2-5-3-8-6(7)9-4-5/h1,3-4H |
| InChI Key | DSPBPHGCXOTQQN-UHFFFAOYSA-N |
| MDL Number | MFCD13189782 |
| Molecular Formula | C6H3ClN2 |
| Molecular Weight | 138.5544 |
| SMILES | C#Cc1cnc(nc1)Cl |
| Synonyms | 2-CHLORO-5-ETHYNYLPYRIMIDINE,
1196156-89-4,
2-Chloro-5-ethnylpyrimidine,
DTXSID00857374,
MFCD13189782,
ZINC95761575,
AB69107,
AS-42257,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.554g/mol |
| Monoisotopic Mass | 137.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number