| CAS Number | 110100-09-9 |
| Catalog Number | AG01A2K6(AGN-PC-0P07LX) |
| Chemical Name | 2-(2-Chloropyrimidin-5-yl)propan-2-ol |
| IUPAC Name | 2-(2-chloropyrimidin-5-yl)propan-2-ol |
| InChI | InChI=1S/C7H9ClN2O/c1-7(2,11)5-3-9-6(8)10-4-5/h3-4,11H,1-2H3 |
| InChI Key | IPIAYBSASVOOJH-UHFFFAOYSA-N |
| MDL Number | MFCD19441124 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | ClC1=NC=C(C=N1)C(C)(C)O |
| Synonyms | 2-(2-chloropyrimidin-5-yl)propan-2-ol,
110100-09-9,
5-Pyrimidinemethanol, 2-chloro-alpha,alpha-dimethyl-,
Z1924087003,
SCHEMBL1403953,
IPIAYBSASVOOJH-UHFFFAOYSA-N,
ZINC83255288,
AKOS026728170,
NE51827,
DA-15586,
FT-0725240,
5-Pyrimidinemethanol, 2-chloro-?,?-dimethyl-,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number