| CAS Number | 1111107-95-9 |
| Catalog Number | AG00949X(AGN-PC-0WAGWH) |
| Chemical Name | 5-(2,4-Difluorophenyl)-2-Hydroxypyrimidine |
| IUPAC Name | 5-(2,4-difluorophenyl)-1H-pyrimidin-2-one |
| InChI | InChI=1S/C10H6F2N2O/c11-7-1-2-8(9(12)3-7)6-4-13-10(15)14-5-6/h1-5H,(H,13,14,15) |
| InChI Key | LBILLOXOJXFZKM-UHFFFAOYSA-N |
| MDL Number | MFCD11876802 |
| Molecular Formula | C10H6F2N2O |
| Molecular Weight | 208.1642 |
| SMILES | OC1=NC=C(C=N1)C1=C(F)C=C(F)C=C1 |
| Synonyms | 1111107-95-9,
5-(2,4-Difluorophenyl)pyrimidin-2-ol,
5-(2,4-DIFLUOROPHENYL)-2-HYDROXYPYRIMIDINE,
CTK8A9239,
DTXSID60686804,
ACMC-209988,
ANW-16230,
MFCD11876802,
ZINC65344591,
5-(2,4-Difluorophenyl)-2-pyrimidinol,
AJ-115346,
AX8240078,
TC-104975,
Z7335,
5-(2,4-Difluorophenyl)pyrimidin-2(1H)-one,
B-6446,
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