| CAS Number | 1111109-06-8 |
| Catalog Number | AG00942D(AGN-PC-0WAAQL) |
| Chemical Name | 5-(3-Chloro-2-methylphenyl)-2-hydroxypyrimidine |
| IUPAC Name | 5-(3-chloro-2-methylphenyl)-1H-pyrimidin-2-one |
| InChI | InChI=1S/C11H9ClN2O/c1-7-9(3-2-4-10(7)12)8-5-13-11(15)14-6-8/h2-6H,1H3,(H,13,14,15) |
| InChI Key | MXXIIZIRRQVYOA-UHFFFAOYSA-N |
| MDL Number | MFCD11876901 |
| Molecular Formula | C11H9ClN2O |
| Molecular Weight | 220.6550 |
| SMILES | OC1=NC=C(C2=CC=CC(Cl)=C2C)C=N1 |
| Synonyms | 1111109-06-8,
5-(3-Chloro-2-methylphenyl)pyrimidin-2-ol,
5-(3-CHLORO-2-METHYLPHENYL)-2-HYDROXYPYRIMIDINE,
ACMC-20998a,
CTK8A9241,
DTXSID60686824,
ANW-16232,
MFCD11876901,
ZINC65344667,
AKOS015892579,
AJ-115349,
AX8229952,
TC-104977,
ST24023733,
Z7337,
B-6448,
5-(3-Chloro-2-methylphenyl)pyrimidin-2(1H)-one,
I03-823,
C11H9ClN2O,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.656g/mol |
| Monoisotopic Mass | 220.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number