| CAS Number | 1274859-33-4 |
| Catalog Number | AG00A0NN(AGN-PC-0WP11X) |
| Chemical Name | VU 0360223 |
| IUPAC Name | 3-fluoro-5-(2-methyl-1,3-benzothiazol-5-yl)benzonitrile |
| InChI | InChI=1S/C15H9FN2S/c1-9-18-14-7-11(2-3-15(14)19-9)12-4-10(8-17)5-13(16)6-12/h2-7H,1H3 |
| InChI Key | WDHYUBIJZHYUOV-UHFFFAOYSA-N |
| MDL Number | MFCD20926362 |
| Molecular Formula | C15H9FN2S |
| Molecular Weight | 268.3088 |
| SMILES | FC=1C=C(C#N)C=C(C1)C=1C=CC2=C(N=C(S2)C)C1 |
| Synonyms | VU 0360223,
1274859-33-4,
ZINC64859665,
AKOS024458138,
NCGC00370983-02,
VU0360223,
3-Fluoro-5-(2-methyl-5-benzothiazolyl)-benzonitrile,
3-fluoro-5-(2-methylbenzo[d]thiazol-5-yl)benzonitrile,
WDHYUBIJZHYUOV-UHFFFAOYSA-N,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.309g/mol |
| Monoisotopic Mass | 268.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number