| CAS Number | 1009562-63-3 |
| Catalog Number | AG019U6H(AGN-PC-0WCO2Q) |
| Chemical Name | 5-(Chloromethyl)-3-(pyrimidin-2-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H5ClN4O/c8-4-5-11-7(12-13-5)6-9-2-1-3-10-6/h1-3H,4H2 |
| InChI Key | XCTINNFYFNYYSO-UHFFFAOYSA-N |
| MDL Number | MFCD11846935 |
| Molecular Formula | C7H5ClN4O |
| Molecular Weight | 196.5938 |
| SMILES | ClCC1ON=C(C2=NC=CC=N2)N=1 |
| Synonyms | 1009562-63-3,
2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine,
5-(chloromethyl)-3-(pyrimidin-2-yl)-1,2,4-oxadiazole,
SCHEMBL12611947,
XCTINNFYFNYYSO-UHFFFAOYSA-N,
ZINC36814625,
AKOS009823015,
MCULE-8824408191,
L-3867,
5-(Chloromethyl)-3-(2-pyrimidyl)-1,2,4-oxadiazole,
F2147-0854,
5-(chloromethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazole,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.594g/mol |
| Monoisotopic Mass | 196.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number