| CAS Number | 1249139-53-4 |
| Catalog Number | AG01AAQT(AGN-PC-0WODEU) |
| Chemical Name | 6-Fluoro-4-methoxy-1,3-benzothiazol-2-amine |
| IUPAC Name | 6-fluoro-4-methoxy-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H7FN2OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11) |
| InChI Key | PMQKEBRMDRHQRX-UHFFFAOYSA-N |
| MDL Number | MFCD14683483 |
| Molecular Formula | C8H7FN2OS |
| Molecular Weight | 198.2174 |
| SMILES | COC1=C2C(SC(=N2)N)=CC(F)=C1 |
| Synonyms | 6-fluoro-4-methoxy-1,3-benzothiazol-2-amine,
1249139-53-4,
AC1Q47CH,
ZINC49569149,
AKOS010776815,
MCULE-5225325081,
NE35868,
EN300-69325,
Z1263714122,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.215g/mol |
| Monoisotopic Mass | 198.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number