| CAS Number | 139425-46-0 |
| Catalog Number | AG01BCY8(AGN-PC-025GN3) |
| Chemical Name | 5-Fluoro-1,3-benzothiazole-2-carbaldehyde |
| IUPAC Name | 5-fluoro-1,3-benzothiazole-2-carbaldehyde |
| InChI | InChI=1S/C8H4FNOS/c9-5-1-2-7-6(3-5)10-8(4-11)12-7/h1-4H |
| InChI Key | OIPIPWSTKLCZOS-UHFFFAOYSA-N |
| MDL Number | MFCD23788131 |
| Molecular Formula | C8H4FNOS |
| Molecular Weight | 181.1869 |
| SMILES | FC1=CC2=C(SC(=N2)C=O)C=C1 |
| Synonyms | 5-fluoro-1,3-benzothiazole-2-carbaldehyde,
139425-46-0,
2-Benzothiazolecarboxaldehyde, 5-fluoro-,
SCHEMBL9339021,
OIPIPWSTKLCZOS-UHFFFAOYSA-N,
5-Fluorobenzothiazole-2-carbaldehyde,
ZINC74302825,
5-fluorobenzothiazole-2-carboxaldehyde,
AKOS018431267,
NE52609,
J3.510.851C,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.184g/mol |
| Monoisotopic Mass | 181g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number