| CAS Number | 1053658-51-7 |
| Catalog Number | AG01C5O4(AGN-PC-0WCLSK) |
| Chemical Name | 2-chloro-4-(3-fluorophenyl)-1,3,5-triazine |
| IUPAC Name | 2-chloro-4-(3-fluorophenyl)-1,3,5-triazine |
| InChI | InChI=1S/C9H5ClFN3/c10-9-13-5-12-8(14-9)6-2-1-3-7(11)4-6/h1-5H |
| InChI Key | REIFUUDEOYACDL-UHFFFAOYSA-N |
| MDL Number | MFCD11052418 |
| Molecular Formula | C9H5ClFN3 |
| Molecular Weight | 209.6075 |
| SMILES | FC1=CC(C2=NC(Cl)=NC=N2)=CC=C1 |
| Synonyms | 2-chloro-4-(3-fluorophenyl)-1,3,5-triazine,
1053658-51-7,
2-CHLORO-4-(3-FLUORO-PHENYL)-[1,3,5]TRIAZINE,
CTK7C1806,
MFCD11052418,
SBB094245,
ZINC43220542,
AKOS030233788,
AS-5454,
4-chloro-2-(3-fluorophenyl)-1,3,5-triazine,
2-Chloro-4-(3-fluorophenyl)-[1,3,5]triazine,
Z1741981725,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.608g/mol |
| Monoisotopic Mass | 209.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number