| CAS Number | 1039314-85-6 |
| Catalog Number | AG01A3JN(AGN-PC-0WO2Q8) |
| Chemical Name | N-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C9H6ClFN2S/c10-7-5-6(1-2-8(7)11)13-9-12-3-4-14-9/h1-5H,(H,12,13) |
| InChI Key | HEIYYWSTGMJUEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11189064 |
| Molecular Formula | C9H6ClFN2S |
| Molecular Weight | 228.6737 |
| SMILES | FC1=C(Cl)C=C(NC2SC=CN=2)C=C1 |
| Synonyms | N-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-amine,
1039314-85-6,
ZINC20430005,
AKOS009264866,
NE39575,
n -(3-chloro-4-fluorophenyl)thiazol-2-amine,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.669g/mol |
| Monoisotopic Mass | 227.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number