| CAS Number | 1276538-16-9 |
| Catalog Number | AG00IT4M(AGN-PC-0WB0VE) |
| Chemical Name | 4-(4-ethyl-1H-1,2,3-triazol-1-yl)-2-fluoroaniline |
| IUPAC Name | 4-(4-ethyltriazol-1-yl)-2-fluoroaniline |
| InChI | InChI=1S/C10H11FN4/c1-2-7-6-15(14-13-7)8-3-4-10(12)9(11)5-8/h3-6H,2,12H2,1H3 |
| InChI Key | XJVFPQFPRSBRLW-UHFFFAOYSA-N |
| MDL Number | MFCD20921593 |
| Molecular Formula | C10H11FN4 |
| Molecular Weight | 206.2195 |
| SMILES | FC1(=C(N)C=CC(=C1)N2(N=NC(=C2)CC)) |
| Synonyms | 4-(4-ethyl-1H-1,2,3-triazol-1-yl)-2-fluoroaniline,
1276538-16-9,
ethyltriazolylfluoroaniline,
KS-00001QAE,
ZX-RL003532,
MFCD20921593,
ZINC71789027,
AKOS015991563,
MCULE-6020316294,
MF-0021,
RP12013,
PC200336,
4-(4-ethyl-1,2,3-triazol-1-yl)-2-fluoroaniline,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.224g/mol |
| Monoisotopic Mass | 206.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number