| CAS Number | 321329-01-5 |
| Catalog Number | AG01C192(AGN-PC-0WOHY4) |
| Chemical Name | (2,6-dichloropyrimidin-4-yl)methanol |
| IUPAC Name | (2,6-dichloropyrimidin-4-yl)methanol |
| InChI | InChI=1S/C5H4Cl2N2O/c6-4-1-3(2-10)8-5(7)9-4/h1,10H,2H2 |
| InChI Key | YSFXKEAJJBEXJI-UHFFFAOYSA-N |
| MDL Number | MFCD28108065 |
| Molecular Formula | C5H4Cl2N2O |
| Molecular Weight | 179.0041 |
| SMILES | ClC1=NC(=CC(=N1)CO)Cl |
| Synonyms | (2,6-dichloropyrimidin-4-yl)methanol,
321329-01-5,
2,4-dichloro-6-hydroxymethylpyrimidine,
SCHEMBL6140631,
ZINC143579775,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179g/mol |
| Monoisotopic Mass | 177.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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