| CAS Number | 1248310-70-4 |
| Catalog Number | AG01BH7J |
| Chemical Name | 5-(2,6-Dichlorophenyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(2,6-dichlorophenyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H5Cl2NO3/c11-5-2-1-3-6(12)7(5)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15) |
| InChI Key | XJKZQXXYYHHNHB-UHFFFAOYSA-N |
| MDL Number | MFCD07376185 |
| Molecular Formula | C10H5Cl2NO3 |
| Molecular Weight | 258.0576 |
| SMILES | OC(C1=C(C2=C(Cl)C=CC=C2Cl)OC=N1)=O |
| Synonyms | 5-(2,6-dichlorophenyl)-1,3-oxazole-4-carboxylic acid,
1248310-70-4,
ZINC43304608,
AKOS010901084,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.054g/mol |
| Monoisotopic Mass | 256.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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