Ethyl 2,5-dibromo-1,3-oxazole-4-carboxylate - CAS 460081-22-5
Catalog: |
BB065763 |
Product Name: |
Ethyl 2,5-dibromo-1,3-oxazole-4-carboxylate |
CAS: |
460081-22-5 |
Synonyms: |
Ethyl 2,5-Dibromo-4-oxazolecarboxylic Acid Ester |
IUPAC Name: | ethyl 2,5-dibromo-1,3-oxazole-4-carboxylate |
Description: | Ethyl 2,5-Dibromo-1,3-oxazole-4-carboxylate is useful for the synthesis of substituted oxazoles. |
Molecular Weight: | 298.92 |
Molecular Formula: | C6H5Br2NO3 |
Canonical SMILES: | CCOC(=O)C1=C(OC(=N1)Br)Br |
InChI: | InChI=1S/C6H5Br2NO3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3 |
InChI Key: | FJGMBUMDLBUTNO-UHFFFAOYSA-N |
Melting Point: | 75-80°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Light Brown Solid |
Storage: | -20°C |
References: | Hodgetts, K. J., et al. Org. Lett., 4, 2905-2907 (2002). |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.86157 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.86362 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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