| CAS Number | 1154009-17-2 |
| Catalog Number | AG019VC6(AGN-PC-0WO0IK) |
| Chemical Name | 2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrimidine |
| IUPAC Name | 4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole |
| InChI | InChI=1S/C8H6ClN3S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4H2 |
| InChI Key | FNBLVIJYQKKYGX-UHFFFAOYSA-N |
| MDL Number | MFCD12093742 |
| Molecular Formula | C8H6ClN3S |
| Molecular Weight | 211.6713 |
| SMILES | ClCC1N=C(C2=NC=CC=N2)SC=1 |
| Synonyms | 2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrimidine,
1154009-17-2,
4-(chloromethyl)-2-(pyrimidin-2-yl)-1,3-thiazole,
AC1Q3U39,
CTK6H6776,
STL453437,
ZINC36378536,
AKOS009823390,
NE50978,
EN300-44856,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.667g/mol |
| Monoisotopic Mass | 210.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number