| CAS Number | 1803567-44-3 |
| Catalog Number | AG01BDF2 |
| Chemical Name | 5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde |
| InChI | InChI=1S/C6H4F3NO/c7-6(8,9)5-1-4(3-11)2-10-5/h1-3,10H |
| InChI Key | XNOHUEUZMHMZKO-UHFFFAOYSA-N |
| MDL Number | MFCD28505653 |
| Molecular Formula | C6H4F3NO |
| Molecular Weight | 163.0973 |
| SMILES | FC(C1NC=C(C=O)C=1)(F)F |
| Synonyms | 5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde,
1803567-44-3,
ZINC238856888,
|
| 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 | 1.1 |
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Certificate of Analysis
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