| CAS Number | 1072944-87-6 |
| Catalog Number | AG003RTN(AGN-PC-07XU3Y) |
| Chemical Name | Methyl 4-(4-chlorophenyl)isoxazole-5-carboxylate |
| IUPAC Name | methyl 4-(4-chlorophenyl)-1,2-oxazole-5-carboxylate |
| InChI | InChI=1S/C11H8ClNO3/c1-15-11(14)10-9(6-13-16-10)7-2-4-8(12)5-3-7/h2-6H,1H3 |
| InChI Key | QCVYAVASMNNCGK-UHFFFAOYSA-N |
| MDL Number | MFCD11504938 |
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.6391 |
| SMILES | COC(=O)c1oncc1c1ccc(cc1)Cl |
| Synonyms | METHYL 4-(4-CHLOROPHENYL)ISOXAZOLE-5-CARBOXYLATE,
1072944-87-6,
methyl 4-(4-chlorophenyl)-1,2-oxazole-5-carboxylate,
ACMC-2098pt,
CTK4A5178,
DTXSID30674758,
ANW-15567,
MFCD11504938,
ZINC38537206,
AKOS015850249,
RTR-001486,
AJ-95970,
AX8231212,
ST24025332,
Z6990,
A-4482,
I14-25260,
C11H8ClNO3,
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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 | 237.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.639g/mol |
| Monoisotopic Mass | 237.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^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