| CAS Number | 885458-02-6 |
| Catalog Number | AG019H5F(AGN-PC-0WO572) |
| Chemical Name | 4-[(4-Bromophenoxy)methyl]-1,3-thiazol-2-amine |
| IUPAC Name | 4-[(4-bromophenoxy)methyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C10H9BrN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13) |
| InChI Key | NNYNANIGBBBHCO-UHFFFAOYSA-N |
| MDL Number | MFCD06660614 |
| Molecular Formula | C10H9BrN2OS |
| Molecular Weight | 285.1603 |
| SMILES | NC1SC=C(COC2=CC=C(Br)C=C2)N=1 |
| Synonyms | 4-(4-bromophenoxymethyl)-1,3-thiazol-2-amine,
885458-02-6,
AB00804289-01,
4-(4-BROMO-PHENOXYMETHYL)-THIAZOL-2-YLAMINE,
ZINC03885562,
CID5152801,
2-Thiazolamine, 4-[(4-bromophenoxy)methyl],
4-[(4-bromophenoxy)methyl]-1,3-thiazol-2-amine,
AC1NP7KM,
AC1Q52QK,
CTK5I7648,
ZINC3885562,
AKOS000122080,
MCULE-1123549534,
EN300-02609,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.159g/mol |
| Monoisotopic Mass | 283.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number