| CAS Number | 1379174-19-2 |
| Catalog Number | AG0035U3(AGN-PC-0WBT85) |
| Chemical Name | 5-(Trifluoromethyl)-1,3-Thiazole-2-Carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C5H2F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1-2H |
| InChI Key | GXVQGBUDNIUMEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11846868 |
| Molecular Formula | C5H2F3NOS |
| Molecular Weight | 181.1357 |
| SMILES | FC(C1=CN=C(S1)C=O)(F)F |
| Synonyms | 5-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde,
1379174-19-2,
5-(TRIFLUOROMETHYL)THIAZOLE-2-CARBALDEHYDE,
MFCD11846868,
ZINC98209931,
AKOS025405371,
NE44552,
AS-50833,
SC-31765,
CS-0055448,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.132g/mol |
| Monoisotopic Mass | 180.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number