| CAS Number | 1258641-20-1 |
| Catalog Number | AG01ABF8 |
| Chemical Name | 2-(1,3-benzothiazol-2-yl)-4-fluoroaniline hydrochloride |
| IUPAC Name | 2-(1,3-benzothiazol-2-yl)-4-fluoroaniline;hydrochloride |
| InChI | InChI=1S/C13H9FN2S.ClH/c14-8-5-6-10(15)9(7-8)13-16-11-3-1-2-4-12(11)17-13;/h1-7H,15H2;1H |
| InChI Key | KVTSORHCIXBEJV-UHFFFAOYSA-N |
| MDL Number | MFCD17977145 |
| Molecular Formula | C13H10ClFN2S |
| Molecular Weight | 280.7483 |
| SMILES | Cl.NC1=C(C2SC3=C(C=CC=C3)N=2)C=C(F)C=C1 |
| Synonyms | 2-(1,3-benzothiazol-2-yl)-4-fluoroaniline hydrochloride,
1258641-20-1,
AC1Q3CWC,
MCULE-1582439403,
NE33981,
EN300-71450,
Z1266823215,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.745g/mol |
| Monoisotopic Mass | 280.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number