| CAS Number | 1111108-31-6 |
| Catalog Number | AG0082WF(AGN-PC-0WAG9G) |
| Chemical Name | 5-(3,4-Difluorophenyl)-2-Hydroxypyrimidine |
| IUPAC Name | 5-(3,4-difluorophenyl)-1H-pyrimidin-2-one |
| InChI | InChI=1S/C10H6F2N2O/c11-8-2-1-6(3-9(8)12)7-4-13-10(15)14-5-7/h1-5H,(H,13,14,15) |
| InChI Key | GRCDXSLTKCZXJL-UHFFFAOYSA-N |
| MDL Number | MFCD11876836 |
| Molecular Formula | C10H6F2N2O |
| Molecular Weight | 208.1642 |
| SMILES | Oc1ncc(cn1)c1ccc(c(c1)F)F |
| Synonyms | 1111108-31-6,
5-(3,4-Difluorophenyl)pyrimidin-2-ol,
5-(3,4-DIFLUOROPHENYL)-2-HYDROXYPYRIMIDINE,
CTK8A9240,
DTXSID20686805,
ACMC-209989,
ANW-16231,
MFCD11876836,
ZINC65344594,
AKOS015892551,
AJ-115347,
AX8240079,
TC-104976,
Z7336,
5-(3,4-Difluorophenyl)pyrimidin-2(1H)-one,
B-6447,
I03-847,
C10H6F2N2O,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.168g/mol |
| Monoisotopic Mass | 208.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number