| CAS Number | 178309-37-0 |
| Catalog Number | AG01B647 |
| Chemical Name | 1,4,6-Trichlorophthalazine |
| IUPAC Name | 1,4,6-trichlorophthalazine |
| InChI | InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H |
| InChI Key | UHLIWROXGHZFPB-UHFFFAOYSA-N |
| MDL Number | MFCD16037283 |
| Molecular Formula | C8H3Cl3N2 |
| Molecular Weight | 233.4818 |
| SMILES | ClC1=CC2=C(C(=NN=C2Cl)Cl)C=C1 |
| Synonyms | 1,4,6-trichlorophthalazine,
178309-37-0,
Phthalazine, 1,4,6-trichloro-,
1,4,6-trichlorophthala-zine,
SCHEMBL3601771,
UHLIWROXGHZFPB-UHFFFAOYSA-N,
ZINC39042003,
CID10585735,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.476g/mol |
| Monoisotopic Mass | 231.936g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number