| CAS Number | 1094231-67-0 |
| Catalog Number | AG019X56(AGN-PC-0WO6GD) |
| Chemical Name | 5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C9H6ClFN4/c10-6-3-5(1-2-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15) |
| InChI Key | CARLIIWOEPGMMD-UHFFFAOYSA-N |
| MDL Number | MFCD11134053 |
| Molecular Formula | C9H6ClFN4 |
| Molecular Weight | 224.6221 |
| SMILES | NC1=NC(C2=CC(Cl)=C(F)C=C2)=CN=N1 |
| Synonyms | 5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine,
1094231-67-0,
AC1Q52KE,
SCHEMBL2321136,
CTK7E1541,
ZINC36722127,
AKOS008121596,
MCULE-8316678757,
NE41810,
EN300-54068,
Z815264096,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.623g/mol |
| Monoisotopic Mass | 224.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number