| CAS Number | 1211534-00-7 |
| Catalog Number | AG01ADPY |
| Chemical Name | 2-(bromomethyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-(bromomethyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C5H4BrNO3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9) |
| InChI Key | PLJLLCUKFGXPBW-UHFFFAOYSA-N |
| MDL Number | MFCD24463755 |
| Molecular Formula | C5H4BrNO3 |
| Molecular Weight | 205.9942 |
| SMILES | OC(C1N=C(CBr)OC=1)=O |
| Synonyms | 2-(bromomethyl)-1,3-oxazole-4-carboxylic acid,
1211534-00-7,
SCHEMBL744062,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.995g/mol |
| Monoisotopic Mass | 204.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number