| CAS Number | 668971-01-5 |
| Catalog Number | AG01B8OJ(AGN-PC-0OFX0R) |
| Chemical Name | Methyl 5-(2-chlorophenyl)-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 5-(2-chlorophenyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3 |
| InChI Key | MYLJNYLTNFLEGE-UHFFFAOYSA-N |
| MDL Number | MFCD28157834 |
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.6391 |
| SMILES | ClC1=C(C=CC=C1)C1=CC(=NO1)C(=O)OC |
| Synonyms | 668971-01-5,
methyl 5-(2-chlorophenyl)-1,2-oxazole-3-carboxylate,
5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid methyl ester,
3-isoxazolecarboxylic acid,5-(2-chlorophenyl)-,methyl ester,
MFCD28157834,
ZINC211842208,
5-(2-Chlorophenyl)isoxazole-3-carboxylic acid methyl ester,
|
| Complexity | 262 |
| 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 |
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Lot Number