| CAS Number | 2102411-79-8 |
| Catalog Number | AG01DFFT |
| Chemical Name | 3-bromo-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine |
| IUPAC Name | 3-bromo-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine |
| InChI | InChI=1S/C9H3BrF6N2/c10-7-6(9(14,15)16)17-5-3-4(8(11,12)13)1-2-18(5)7/h1-3H |
| InChI Key | HEGZSMJYAKOLMD-UHFFFAOYSA-N |
| MDL Number | MFCD31555352 |
| Molecular Formula | C9H3BrF6N2 |
| Molecular Weight | 333.0279 |
| SMILES | FC(F)(F)c1nc2cc(ccn2c1Br)C(F)(F)F |
| Synonyms | 3-bromo-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine,
2102411-79-8,
ZINC642881927,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.031g/mol |
| Monoisotopic Mass | 331.938g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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