| CAS Number | 1094385-30-4 |
| Catalog Number | AG019X7U(AGN-PC-0WO3EI) |
| Chemical Name | 5-(3,4-Difluorophenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C9H6F2N4/c10-6-2-1-5(3-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15) |
| InChI Key | WKBBLBRBXBJLDY-UHFFFAOYSA-N |
| MDL Number | MFCD11134107 |
| Molecular Formula | C9H6F2N4 |
| Molecular Weight | 208.1675 |
| SMILES | NC1=NC(C2=CC(F)=C(F)C=C2)=CN=N1 |
| Synonyms | 5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine,
1094385-30-4,
AC1Q52KG,
SCHEMBL2323331,
CTK7E1542,
ZINC36722179,
AKOS009291599,
MCULE-8876610137,
NE24361,
EN300-54290,
Z815264118,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.172g/mol |
| Monoisotopic Mass | 208.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number