| CAS Number | 947179-19-3 |
| Catalog Number | AG006T19(AGN-PC-07ASUP) |
| Chemical Name | tert-Butyl (4-(difluoromethyl)thiazol-2-yl)carbamate |
| IUPAC Name | tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate |
| InChI | InChI=1S/C9H12F2N2O2S/c1-9(2,3)15-8(14)13-7-12-5(4-16-7)6(10)11/h4,6H,1-3H3,(H,12,13,14) |
| InChI Key | YQYPCZYHSSWKET-UHFFFAOYSA-N |
| MDL Number | MFCD18833784 |
| Molecular Formula | C9H12F2N2O2S |
| Molecular Weight | 250.2656 |
| SMILES | O=C(OC(C)(C)C)NC1=NC(C(F)F)=CS1 |
| Synonyms | tert-Butyl (4-(difluoromethyl)thiazol-2-yl)carbamate,
947179-19-3,
C9H12F2N2O2S,
SCHEMBL1796424,
CTK8C1709,
DTXSID90668693,
6261AC,
ANW-67114,
ZINC39123753,
FCH1621665,
AJ-98623,
AX8238054,
TC-155859,
tert-Butyl (4-(difluoromethyl)-thiazol-2-yl)carbamate,
tert-Butyl [4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate,
Carbamic acid, N-[4-(difluoromethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.264g/mol |
| Monoisotopic Mass | 250.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number