| CAS Number | 176032-29-4 |
| Catalog Number | AG00HZON(AGN-PC-03TV7N) |
| Chemical Name | Benzoic acid, 3-(2-pyrimidinyloxy)-, methyl ester |
| IUPAC Name | methyl 3-pyrimidin-2-yloxybenzoate |
| InChI | InChI=1S/C12H10N2O3/c1-16-11(15)9-4-2-5-10(8-9)17-12-13-6-3-7-14-12/h2-8H,1H3 |
| InChI Key | KVVYHHYZOKIJOO-UHFFFAOYSA-N |
| MDL Number | MFCD29059786 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | N1=C(N=CC=C1)OC=1C=C(C(=O)OC)C=CC1 |
| Synonyms | METHYL 3-(PYRIMIDIN-2-YLOXY)BENZOATE,
176032-29-4,
SCHEMBL6798334,
KVVYHHYZOKIJOO-UHFFFAOYSA-N,
ZINC69199113,
methyl 3-(pyrimidine-2-yl)oxybenzoate,
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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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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