| CAS Number | 1060816-14-9 |
| Catalog Number | AG00392W(AGN-PC-0WAJ3A) |
| Chemical Name | 2-bromo-4-(trifluoromethyl)-1,3-oxazole |
| IUPAC Name | 2-bromo-4-(trifluoromethyl)-1,3-oxazole |
| InChI | InChI=1S/C4HBrF3NO/c5-3-9-2(1-10-3)4(6,7)8/h1H |
| InChI Key | GOJLDYZMFAQWAN-UHFFFAOYSA-N |
| MDL Number | MFCD13189381 |
| Molecular Formula | C4HBrF3NO |
| Molecular Weight | 215.9560 |
| SMILES | BrC=1OC=C(N1)C(F)(F)F |
| Synonyms | 2-BROMO-4-(TRIFLUOROMETHYL)OXAZOLE,
1060816-14-9,
2-BROMO-4-(TRIFLUOROMETHYL)-1,3-OXAZOLE,
SCHEMBL16632755,
ZINC95642419,
AKOS028109767,
AB68306,
DB-059446,
FT-0702176,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.957g/mol |
| Monoisotopic Mass | 214.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number