| CAS Number | 1929606-72-3 |
| Catalog Number | AG01FH7V(AGN-PC-3H4AM7) |
| Chemical Name | 5-Iodo-2-(trifluoromethyl)-1,3-benzoxazole |
| IUPAC Name | 5-iodo-2-(trifluoromethyl)-1,3-benzoxazole |
| InChI | InChI=1S/C8H3F3INO/c9-8(10,11)7-13-5-3-4(12)1-2-6(5)14-7/h1-3H |
| InChI Key | YQZXSEZVZPCWAC-UHFFFAOYSA-N |
| MDL Number | MFCD28515363 |
| Molecular Formula | C8H3F3INO |
| Molecular Weight | 313.0152 |
| SMILES | Ic1ccc2c(c1)nc(o2)C(F)(F)F |
| Synonyms | 5-IODO-2-(TRIFLUOROMETHYL)-1,3-BENZOXAZOLE,
1929606-72-3,
MFCD28515363,
ZINC169805309,
FCH3717048,
PC501479,
PS-11324,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.018g/mol |
| Monoisotopic Mass | 312.921g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number