| CAS Number | 77007-96-6 |
| Catalog Number | AG01B52F(AGN-PC-00D5AN) |
| Chemical Name | 2-Chloro-4-phenyl-1,3,5-triazine |
| IUPAC Name | 2-chloro-4-phenyl-1,3,5-triazine |
| InChI | InChI=1S/C9H6ClN3/c10-9-12-6-11-8(13-9)7-4-2-1-3-5-7/h1-6H |
| InChI Key | MVDYXUKNMGWCKS-UHFFFAOYSA-N |
| MDL Number | MFCD18431796 |
| Molecular Formula | C9H6ClN3 |
| Molecular Weight | 191.6170 |
| SMILES | ClC1=NC(C2=CC=CC=C2)=NC=N1 |
| Synonyms | 2-chloro-4-phenyl-1,3,5-triazine,
77007-96-6,
2-chloro-6-phenyl-[1,3,5]triazine,
SCHEMBL9026332,
ZINC35975820,
CID11636974,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.618g/mol |
| Monoisotopic Mass | 191.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number