| CAS Number | 173064-29-4 |
| Catalog Number | AG00ALR8(AGN-PC-0NGVQI) |
| Chemical Name | 4-Chloro-6-(4-methoxyphenyl)pyrimidine |
| IUPAC Name | 4-chloro-6-(4-methoxyphenyl)pyrimidine |
| InChI | InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-11(12)14-7-13-10/h2-7H,1H3 |
| InChI Key | FNEKYVMAYAGBHY-UHFFFAOYSA-N |
| MDL Number | MFCD09861712 |
| Molecular Formula | C11H9ClN2O |
| Molecular Weight | 220.6550 |
| SMILES | COC1=CC=C(C2=NC=NC(Cl)=C2)C=C1 |
| Synonyms | 4-chloro-6-(4-methoxyphenyl)pyrimidine,
173064-29-4,
4-chloro-6-(4'-methoxyphenyl)pyrimidine,
SCHEMBL4438489,
ZINC26420715,
AKOS005208270,
MCULE-4984293263,
4-(4-Methoxyphenyl)-6-chloropyrimidine,
L-4984,
F1967-0495,
CID11160353,
4-Chloro-6-(4-methoxy-phenyl)-pyrimidine,
|
| Complexity | 195 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.656g/mol |
| Monoisotopic Mass | 220.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number