| CAS Number | 1519187-90-6 |
| Catalog Number | AG01BF83(AGN-PC-0WORLN) |
| Chemical Name | 1-(difluoromethyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-(difluoromethyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C6H5F2NO/c7-6(8)9-3-1-2-5(9)4-10/h1-4,6H |
| InChI Key | HEFWOSFNVTXCEX-UHFFFAOYSA-N |
| MDL Number | MFCD21766137 |
| Molecular Formula | C6H5F2NO |
| Molecular Weight | 145.1068 |
| SMILES | FC(N1C(C=O)=CC=C1)F |
| Synonyms | 1-(difluoromethyl)-1H-pyrrole-2-carbaldehyde,
1519187-90-6,
ZINC85580330,
AKOS015752949,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.109g/mol |
| Monoisotopic Mass | 145.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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