| CAS Number | 1061651-05-5 |
| Catalog Number | AG01C5DU |
| Chemical Name | [3-(2-fluorophenoxy)phenyl]methanamine |
| IUPAC Name | [3-(2-fluorophenoxy)phenyl]methanamine |
| InChI | InChI=1S/C13H12FNO/c14-12-6-1-2-7-13(12)16-11-5-3-4-10(8-11)9-15/h1-8H,9,15H2 |
| InChI Key | KTKFASDZHMHEQP-UHFFFAOYSA-N |
| MDL Number | MFCD19613864 |
| Molecular Formula | C13H12FNO |
| Molecular Weight | 217.2389 |
| SMILES | NCC1=CC(OC2=C(F)C=CC=C2)=CC=C1 |
| Synonyms | [3-(2-fluorophenoxy)phenyl]methanamine,
1061651-05-5,
SCHEMBL922873,
3-(2-fluorophenoxy)benzylamine,
3-(2-fluorophenyloxy)benzylamine,
KTKFASDZHMHEQP-UHFFFAOYSA-N,
ZINC68983728,
AKOS013258407,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.243g/mol |
| Monoisotopic Mass | 217.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number