| CAS Number | 794578-70-4 |
| Catalog Number | AG00G2S8 |
| Chemical Name | 4-[4-(Difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine |
| IUPAC Name | 4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C11H10F2N2OS/c1-6-9(15-11(14)17-6)7-2-4-8(5-3-7)16-10(12)13/h2-5,10H,1H3,(H2,14,15) |
| InChI Key | TXHATARQKDPFJO-UHFFFAOYSA-N |
| MDL Number | MFCD04837239 |
| Molecular Formula | C11H10F2N2OS |
| Molecular Weight | 256.2717 |
| SMILES | NC1=NC(C2=CC=C(OC(F)F)C=C2)=C(C)S1 |
| Synonyms | 4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine,
794578-70-4,
AC1Q2FMC,
AC1M7H8L,
CTK7B7362,
ZINC3326342,
AKOS005199926,
MCULE-6156125052,
NE12996,
EN300-14253,
Z48847691,
4-[4-(Difluoromethoxy)phenyl]-5-methyl-2-thiazolamine,
ZINC03326342,
CID2441966,
869711-92-2,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.271g/mol |
| Monoisotopic Mass | 256.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number