| CAS Number | 1094236-09-5 |
| Catalog Number | AG019XI7 |
| Chemical Name | [3-fluoro-4-(pyridin-3-yloxy)phenyl]methanamine |
| IUPAC Name | (3-fluoro-4-pyridin-3-yloxyphenyl)methanamine |
| InChI | InChI=1S/C12H11FN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H,7,14H2 |
| InChI Key | JMUZAAYESOWFSI-UHFFFAOYSA-N |
| MDL Number | MFCD11182961 |
| Molecular Formula | C12H11FN2O |
| Molecular Weight | 218.2269 |
| SMILES | NCC1=CC(F)=C(OC2=CN=CC=C2)C=C1 |
| Synonyms | [3-fluoro-4-(pyridin-3-yloxy)phenyl]methanamine,
1094236-09-5,
AC1Q53VH,
ZINC36904288,
EN300-55078,
|
| 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 | 1.3 |
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Certificate of Analysis
Lot Number