| CAS Number | 1367875-88-4 |
| Catalog Number | AG009XQ7(AGN-PC-0WBSD5) |
| Chemical Name | 5-(Trifluoromethyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C6H4F3NO/c7-6(8,9)5-2-1-4(3-11)10-5/h1-3,10H |
| InChI Key | GCIJMCJVUKNFEH-UHFFFAOYSA-N |
| MDL Number | MFCD24620333 |
| Molecular Formula | C6H4F3NO |
| Molecular Weight | 163.0973 |
| SMILES | FC(C1=CC=C(N1)C=O)(F)F |
| Synonyms | 5-(Trifluoromethyl)-1H-pyrrole-2-carbaldehyde,
1367875-88-4,
1H-Pyrrole-2-carboxaldehyde, 5-(trifluoromethyl)-,
ZINC82404747,
AKOS022714434,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.099g/mol |
| Monoisotopic Mass | 163.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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