| CAS Number | 1250914-78-3 |
| Catalog Number | AG01E895(AGN-PC-0WO6AV) |
| Chemical Name | 3-chloro-4-(5-methyl-1H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 3-chloro-4-(5-methyl-1H-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C9H9ClN4/c1-5-12-9(14-13-5)7-3-2-6(11)4-8(7)10/h2-4H,11H2,1H3,(H,12,13,14) |
| InChI Key | RHQWCQAZOXBOJJ-UHFFFAOYSA-N |
| MDL Number | MFCD14659087 |
| Molecular Formula | C9H9ClN4 |
| Molecular Weight | 208.6476 |
| SMILES | CC1NN=C(C2=C(Cl)C=C(N)C=C2)N=1 |
| Synonyms | 3-chloro-4-(5-methyl-1H-1,2,4-triazol-3-yl)aniline,
ZINC42417704,
AKOS010658887,
MCULE-2514465724,
NE31407,
F3367-0273,
1250914-78-3,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.649g/mol |
| Monoisotopic Mass | 208.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number