| CAS Number | 1246636-79-2 |
| Catalog Number | AG009YZC |
| Chemical Name | Methyl 2-(4-(6-chloropyrimidin-4-yloxy)phenyl)acetate |
| IUPAC Name | methyl 2-[4-(6-chloropyrimidin-4-yl)oxyphenyl]acetate |
| InChI | InChI=1S/C13H11ClN2O3/c1-18-13(17)6-9-2-4-10(5-3-9)19-12-7-11(14)15-8-16-12/h2-5,7-8H,6H2,1H3 |
| InChI Key | NGOZQBYSVAZWAZ-UHFFFAOYSA-N |
| MDL Number | MFCD30475506 |
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.6910 |
| SMILES | COC(=O)Cc1ccc(cc1)Oc1ncnc(c1)Cl |
| Synonyms | 1246636-79-2,
methyl 2-(4-(6-chloropyrimidin-4-yloxy)phenyl)acetate,
Methyl 2-(4-((6-chloropyrimidin-4-yl)oxy)phenyl)acetate,
SCHEMBL479113,
NGOZQBYSVAZWAZ-UHFFFAOYSA-N,
MFCD30475506,
ZINC113918494,
CS-0059717,
A1-04535,
Methyl 2-[4-(6-chloropyrimidin-4-yl)oxyphenyl]acetate,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.692g/mol |
| Monoisotopic Mass | 278.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number