| CAS Number | 1353878-22-4 |
| Catalog Number | AG00J07K(AGN-PC-0WB0VM) |
| Chemical Name | 2-fluoro-4-(4-methyl-1H-1,2,3-triazol-1-yl)aniline |
| IUPAC Name | 2-fluoro-4-(4-methyltriazol-1-yl)aniline |
| InChI | InChI=1S/C9H9FN4/c1-6-5-14(13-12-6)7-2-3-9(11)8(10)4-7/h2-5H,11H2,1H3 |
| InChI Key | AVBBVLZILINETH-UHFFFAOYSA-N |
| MDL Number | MFCD20921599 |
| Molecular Formula | C9H9FN4 |
| Molecular Weight | 192.1930 |
| SMILES | FC1(=C(N)C=CC(=C1)N2(N=NC(=C2)C)) |
| Synonyms | 2-fluoro-4-(4-methyl-1H-1,2,3-triazol-1-yl)aniline,
1353878-22-4,
fluoromethyltriazolylaniline,
KS-000027QD,
ZX-RL003528,
MFCD20921599,
ZINC71789035,
AKOS015991572,
FCH1612802,
MCULE-5691124330,
MF-0065,
RP11363,
PC200331,
2-fluoro-4-(4-methyl-1,2,3-triazol-1-yl)aniline,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.197g/mol |
| Monoisotopic Mass | 192.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number