| CAS Number | 217326-71-1 |
| Catalog Number | AG00BNDK |
| Chemical Name | 4-Bromo-2-(trifluoromethyl)-1,3-benzoxazole |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)-1,3-benzoxazole |
| InChI | InChI=1S/C8H3BrF3NO/c9-4-2-1-3-5-6(4)13-7(14-5)8(10,11)12/h1-3H |
| InChI Key | MHXHEGALWVDEIZ-UHFFFAOYSA-N |
| MDL Number | MFCD17010236 |
| Molecular Formula | C8H3BrF3NO |
| Molecular Weight | 266.0147 |
| SMILES | FC(F)(F)C1=NC2=C(O1)C=CC=C2Br |
| Synonyms | 4-Bromo-2-(trifluoromethyl)-1,3-benzoxazole,
217326-71-1,
4-Bromo-2-(trifluoromethyl)benzo[d]oxazole,
SCHEMBL5687096,
MHXHEGALWVDEIZ-UHFFFAOYSA-N,
ZX-AP002453,
MFCD17010236,
PC8917,
ZINC71790253,
4-Bromo-2-trifluoromethyl-benzoxazole,
FCH1351442,
PS-11325,
Benzoxazole, 4-bromo-2-(trifluoromethyl)-,
AS-813/43501722,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.017g/mol |
| Monoisotopic Mass | 264.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number