| CAS Number | 1245651-29-9 |
| Catalog Number | AG01C2ZX |
| Chemical Name | 2-(4-(bromomethyl)-3-fluorophenyl)oxazole |
| IUPAC Name | 2-[4-(bromomethyl)-3-fluorophenyl]-1,3-oxazole |
| InChI | InChI=1S/C10H7BrFNO/c11-6-8-2-1-7(5-9(8)12)10-13-3-4-14-10/h1-5H,6H2 |
| InChI Key | LARJNQWIWHUHNB-UHFFFAOYSA-N |
| MDL Number | MFCD19382390 |
| Molecular Formula | C10H7BrFNO |
| Molecular Weight | 256.0711 |
| SMILES | FC1=C(CBr)C=CC(C2OC=CN=2)=C1 |
| Synonyms | 2-(4-(BROMOMETHYL)-3-FLUOROPHENYL)OXAZOLE,
1245651-29-9,
2-[4-(bromomethyl)-3-fluorophenyl]-1,3-oxazole,
SCHEMBL372815,
LARJNQWIWHUHNB-UHFFFAOYSA-N,
MFCD19382390,
ZINC66054964,
AS-36076,
|
| Complexity | 193 |
| 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 |
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Certificate of Analysis
Lot Number