| CAS Number | 953730-03-5 |
| Catalog Number | AG019N54 |
| Chemical Name | [2-(3-Fluorophenoxy)pyridin-3-yl]methylamine |
| IUPAC Name | [2-(3-fluorophenoxy)pyridin-3-yl]methanamine |
| InChI | InChI=1S/C12H11FN2O/c13-10-4-1-5-11(7-10)16-12-9(8-14)3-2-6-15-12/h1-7H,8,14H2 |
| InChI Key | ZJSHMOYHXMKXDG-UHFFFAOYSA-N |
| MDL Number | MFCD09731211 |
| Molecular Formula | C12H11FN2O |
| Molecular Weight | 218.2269 |
| SMILES | NCC1=C(OC2=CC(F)=CC=C2)N=CC=C1 |
| Synonyms | [2-(3-fluorophenoxy)pyridin-3-yl]methanamine,
[2-(3-fluorophenoxy)pyridin-3-yl]methylamine,
953730-03-5,
AC1Q53SY,
CTK8F2380,
ZINC22171857,
AKOS000140041,
MCULE-7535303504,
EN300-39419,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.231g/mol |
| Monoisotopic Mass | 218.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number