| CAS Number | 178118-28-0 |
| Catalog Number | AG00HZS4(AGN-PC-0WQYFF) |
| Chemical Name | Methyl 2-(pyrimidin-2-yloxy)benzoate |
| IUPAC Name | methyl 2-pyrimidin-2-yloxybenzoate |
| InChI | InChI=1S/C12H10N2O3/c1-16-11(15)9-5-2-3-6-10(9)17-12-13-7-4-8-14-12/h2-8H,1H3 |
| InChI Key | PVUQLZPNNLNFDY-UHFFFAOYSA-N |
| MDL Number | MFCD02946327 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | COC(=O)c1ccccc1Oc2ncccn2 |
| Synonyms | METHYL 2-(PYRIMIDIN-2-YLOXY)BENZOATE,
178118-28-0,
2-(pyrimidin-2-yloxy)-benzoic acid methyl ester,
DTXSID50695147,
MFCD02946327,
ZINC44137207,
Methyl 2-[(pyrimidin-2-yl)oxy]benzoate,
AS-31391,
2-(pyrimidin-2-yloxy)benzoic acid methyl ester,
A-1990,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.223g/mol |
| Monoisotopic Mass | 230.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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