| CAS Number | 102808-02-6 |
| Catalog Number | AG009SA0(AGN-PC-0NVGKF) |
| Chemical Name | 4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)-1H-imidazole-2-carbaldehyde |
| InChI | InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-9-4(2-11)10-3/h1-2H,(H,9,10) |
| InChI Key | FYKPCRCNMFOTHP-UHFFFAOYSA-N |
| MDL Number | MFCD10696737 |
| Molecular Formula | C5H3F3N2O |
| Molecular Weight | 164.0853 |
| SMILES | FC(C1=CN=C(N1)C=O)(F)F |
| Synonyms | 102808-02-6,
5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-2-CARBALDEHYDE,
4-(Trifluoromethyl)-1H-imidazole-2-carbaldehyde,
1H-Imidazole-2-carboxaldehyde, 5-(trifluoromethyl)-,
SCHEMBL2826172,
SCHEMBL17351370,
CTK8G4597,
FYKPCRCNMFOTHP-UHFFFAOYSA-N,
MFCD10696737,
ZINC82320764,
AKOS006305318,
AB58043,
AS-39603,
F2147-3288,
2-(carboxaldehyde)-4(5)-(trifluoromethyl)imidazole,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.087g/mol |
| Monoisotopic Mass | 164.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number