4,6-Dichloro-5-pyrimidinemethanol - CAS 1260862-85-8
Catalog: |
BB076632 |
Product Name: |
4,6-Dichloro-5-pyrimidinemethanol |
CAS: |
1260862-85-8 |
Synonyms: |
(4,6-Dichloropyrimidin-5-yl)methanol |
IUPAC Name: | (4,6-dichloropyrimidin-5-yl)methanol |
Description: | 4,6-Dichloro-5-pyrimidinemethanol is a useful reagent for organic synthesis. It is used in the preparation of spirofuranopyrimidine- piperidines. |
Molecular Weight: | 179 |
Molecular Formula: | C5H4N2OCl2 |
Canonical SMILES: | C1=NC(=C(C(=N1)Cl)CO)Cl |
InChI: | InChI=1S/C5H4Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h2,10H,1H2 |
InChI Key: | OXXRISGDUFMBMW-UHFFFAOYSA-N |
References: | Darout, E., et al. Tetrahedron, 68, 4596 (2012). |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9700681 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9700681 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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