| CAS Number | 1311315-49-7 |
| Catalog Number | AG01AH5Z |
| Chemical Name | 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one |
| IUPAC Name | 2-(2-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one |
| InChI | InChI=1S/C13H10FNOS/c14-9-5-2-1-4-8(9)13-15-10-6-3-7-11(16)12(10)17-13/h1-2,4-5H,3,6-7H2 |
| InChI Key | DDOADTSXEHRASN-UHFFFAOYSA-N |
| MDL Number | MFCD17437827 |
| Molecular Formula | C13H10FNOS |
| Molecular Weight | 247.2880 |
| SMILES | FC1=C(C2SC3=C(CCCC3=O)N=2)C=CC=C1 |
| Synonyms | 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one,
1311315-49-7,
ZINC50329674,
AKOS011356707,
MCULE-3546727802,
NE16210,
EN300-73803,
Z1258992576,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.287g/mol |
| Monoisotopic Mass | 247.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number