| CAS Number | 951907-14-5 |
| Catalog Number | AG019XGG(AGN-PC-0WO6N2) |
| Chemical Name | [3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine |
| IUPAC Name | (3-fluoro-4-imidazol-1-ylphenyl)methanamine |
| InChI | InChI=1S/C10H10FN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H,6,12H2 |
| InChI Key | JUTIXVFSGDRBRN-UHFFFAOYSA-N |
| MDL Number | MFCD09907410 |
| Molecular Formula | C10H10FN3 |
| Molecular Weight | 191.2049 |
| SMILES | NCC1=CC(F)=C(N2C=NC=C2)C=C1 |
| Synonyms | [3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine,
951907-14-5,
(3-Fluoro-4-(1H-imidazol-1-yl)phenyl)methanamine,
AC1Q53V8,
SCHEMBL18049192,
ZINC11757290,
AKOS009251006,
MCULE-1785123898,
NE22138,
VS-0300,
EN300-54921,
AB01003585-01,
1-[3-fluoro-4-(1H-imidazol-1-yl)phenyl]methanamine,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.209g/mol |
| Monoisotopic Mass | 191.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number