| CAS Number | 1421468-70-3 |
| Catalog Number | AG01AS2N |
| Chemical Name | 1-(6-Fluorobenzo[d]thiazol-2-yl)azetidin-3-ol |
| IUPAC Name | 1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-ol |
| InChI | InChI=1S/C10H9FN2OS/c11-6-1-2-8-9(3-6)15-10(12-8)13-4-7(14)5-13/h1-3,7,14H,4-5H2 |
| InChI Key | RXCOUEHVKZTUJF-UHFFFAOYSA-N |
| MDL Number | MFCD22587770 |
| Molecular Formula | C10H9FN2OS |
| Molecular Weight | 224.2547 |
| SMILES | OC1CN(C1)C2=NC(C=C3)=C(C=C3F)S2 |
| Synonyms | 1-(6-fluorobenzo[d]thiazol-2-yl)azetidin-3-ol,
1421468-70-3,
ZINC85436305,
AKOS024627642,
MCULE-8027442611,
F2145-0961,
1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-ol,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.041962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.041962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number