| CAS Number | 430439-81-9 |
| Catalog Number | AG01BVNP(AGN-PC-0OADOD) |
| Chemical Name | 5-Phenoxypyrimidine |
| IUPAC Name | 5-phenoxypyrimidine |
| InChI | InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H |
| InChI Key | VQAJURRYDSTTMS-UHFFFAOYSA-N |
| MDL Number | MFCD13178031 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | O(C1=CN=CN=C1)C1=CC=CC=C1 |
| Synonyms | 5-phenoxypyrimidine,
430439-81-9,
pyrimidine,5-phenoxy-,
ZINC89224315,
AKOS033980352,
Z2687204028,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.187g/mol |
| Monoisotopic Mass | 172.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number