| CAS Number | 149286-19-1 |
| Catalog Number | AG01C17C(AGN-PC-0N2PS1) |
| Chemical Name | ethyl 5-iodo-1,2-oxazole-3-carboxylate |
| IUPAC Name | ethyl 5-iodo-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C6H6INO3/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2H2,1H3 |
| InChI Key | VJMQZWNVBFOPTL-UHFFFAOYSA-N |
| MDL Number | MFCD26395555 |
| Molecular Formula | C6H6INO3 |
| Molecular Weight | 267.0212 |
| SMILES | CCOC(=O)C1=NOC(=C1)I |
| Synonyms | ethyl 5-iodoisoxazole-3-carboxylate,
149286-19-1,
Ethyl 5-iodo-1,2-oxazole-3-carboxylate,
C6H6INO3,
SCHEMBL4910389,
4101AJ,
ZINC38526622,
5-Iodo-isoxazole-3-carboxylic acid ethyl ester,
F2147-8094,
CID10333172,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.022g/mol |
| Monoisotopic Mass | 266.939g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number