| CAS Number | 1159822-80-6 |
| Catalog Number | AG000HB5(AGN-PC-0WCXWN) |
| Chemical Name | Methyl 2-(4-chloropyrimidin-2-yloxy)benzoate |
| IUPAC Name | methyl 2-(4-chloropyrimidin-2-yl)oxybenzoate |
| InChI | InChI=1S/C12H9ClN2O3/c1-17-11(16)8-4-2-3-5-9(8)18-12-14-7-6-10(13)15-12/h2-7H,1H3 |
| InChI Key | GCBMVEVLKOCOQC-UHFFFAOYSA-N |
| MDL Number | MFCD12068367 |
| Molecular Formula | C12H9ClN2O3 |
| Molecular Weight | 264.6645 |
| SMILES | COC(=O)C1=CC=CC=C1OC1=NC=CC(Cl)=N1 |
| Synonyms | METHYL 2-(4-CHLOROPYRIMIDIN-2-YLOXY)BENZOATE,
1159822-80-6,
DTXSID30695145,
MFCD12068367,
ZINC44713500,
AK177112,
AS-31401,
A-1992,
Methyl 2-[(4-chloropyrimidin-2-yl)oxy]benzoate,
2-(4-chloropyrimidin-2-yloxy)-benzoic acid methyl ester,
2-(4-chloropyrimidin-2-yloxy)benzoic acid methyl ester,
2-(4-chloro-pyrimidin-2-yloxy)-benzoic acid methyl ester,
Benzoic acid, 2-[(4-chloro-2-pyrimidinyl)oxy]-, methyl ester,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.665g/mol |
| Monoisotopic Mass | 264.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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