| CAS Number | 1159822-51-1 |
| Catalog Number | AG00HD61 |
| Chemical Name | Ethyl 3-(pyrimidin-2-yloxy)benzoate |
| IUPAC Name | ethyl 3-pyrimidin-2-yloxybenzoate |
| InChI | InChI=1S/C13H12N2O3/c1-2-17-12(16)10-5-3-6-11(9-10)18-13-14-7-4-8-15-13/h3-9H,2H2,1H3 |
| InChI Key | QHVUMKMLXXXCQE-UHFFFAOYSA-N |
| MDL Number | MFCD12068357 |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.2460 |
| SMILES | O=C(OCC)C1=CC=CC(OC2=NC=CC=N2)=C1 |
| Synonyms | ETHYL 3-(PYRIMIDIN-2-YLOXY)BENZOATE,
1159822-51-1,
3-(pyrimidin-2-yloxy)benzoic acid ethyl ester,
3-(pyrimidin-2-yloxy)-benzoic acid ethyl ester,
DTXSID40695136,
MFCD12068357,
ZINC44137210,
AKOS027253637,
Ethyl 3-[(pyrimidin-2-yl)oxy]benzoate,
AS-31393,
A-1991,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.25g/mol |
| Monoisotopic Mass | 244.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number