| CAS Number | 1037163-76-0 |
| Catalog Number | AG019XGJ(AGN-PC-0WO54I) |
| Chemical Name | [3-Fluoro-4-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine |
| IUPAC Name | [3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methanamine |
| InChI | InChI=1S/C11H12FN3/c1-8-14-4-5-15(8)11-3-2-9(7-13)6-10(11)12/h2-6H,7,13H2,1H3 |
| InChI Key | VMEUQOMHWNIZJN-UHFFFAOYSA-N |
| MDL Number | MFCD11191729 |
| Molecular Formula | C11H12FN3 |
| Molecular Weight | 205.2315 |
| SMILES | FC=1C=C(C=CC1N1C(=NC=C1)C)CN |
| Synonyms | [3-fluoro-4-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine,
1037163-76-0,
AC1Q2P3U,
ZINC20469822,
AKOS009248985,
MCULE-2115535043,
NE21868,
VS-0140,
EN300-54925,
1-[3-fluoro-4-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.236g/mol |
| Monoisotopic Mass | 205.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number