| CAS Number | 1274674-90-6 |
| Catalog Number | AG01ABPA |
| Chemical Name | 4-(3-bromophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine |
| IUPAC Name | 4-(3-bromophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H13BrN2OS/c1-16-6-5-14-12-15-11(8-17-12)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15) |
| InChI Key | UVIIIAGQPHMNBW-UHFFFAOYSA-N |
| MDL Number | MFCD17294840 |
| Molecular Formula | C12H13BrN2OS |
| Molecular Weight | 313.2134 |
| SMILES | COCCNC1SC=C(C2=CC(Br)=CC=C2)N=1 |
| Synonyms | 4-(3-bromophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine,
1274674-90-6,
AC1PHB1K,
ZINC7843649,
AKOS006033817,
MCULE-7137651807,
Z48853541,
ZINC07843649,
CID8962144,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.213g/mol |
| Monoisotopic Mass | 311.993g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number