| CAS Number | 855991-59-2 |
| Catalog Number | AG00IDPU(AGN-PC-0WOD5T) |
| Chemical Name | 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole |
| IUPAC Name | 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C10H7BrFNO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2 |
| InChI Key | WGLQYADVKZNXHC-UHFFFAOYSA-N |
| MDL Number | MFCD06655929 |
| Molecular Formula | C10H7BrFNO |
| Molecular Weight | 256.0711 |
| SMILES | FC1=CC=C(C2OC(CBr)=NC=2)C=C1 |
| Synonyms | 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole,
855991-59-2,
AC1NLQQW,
AC1Q4M1P,
CTK5I9915,
ZINC4206734,
MFCD06655929,
AKOS000118507,
NE62370,
EN300-13565,
ZINC04206734,
CID4962511,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.074g/mol |
| Monoisotopic Mass | 254.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number