| CAS Number | 886497-46-7 |
| Catalog Number | AG019X0C(AGN-PC-0WO0PD) |
| Chemical Name | 5-(4-Chlorophenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(4-chlorophenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C9H7ClN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14) |
| InChI Key | IPZNMPRJRFYAJB-UHFFFAOYSA-N |
| MDL Number | MFCD06739744 |
| Molecular Formula | C9H7ClN4 |
| Molecular Weight | 206.6317 |
| SMILES | NC1=NC(C2=CC=C(Cl)C=C2)=CN=N1 |
| Synonyms | 5-(4-chlorophenyl)-1,2,4-triazin-3-amine,
886497-46-7,
5-(4-Chloro-phenyl)-[1,2,4]triazin-3-ylamine,
AC1OGV2D,
AC1Q52KK,
SCHEMBL2322824,
CTK6G9737,
ZINC4298974,
AKOS008121755,
MCULE-6996717558,
NE20466,
EN300-53688,
Z812517004,
ZINC04298974,
CID7176090,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.633g/mol |
| Monoisotopic Mass | 206.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number