| CAS Number | 1249778-79-7 |
| Catalog Number | AG01B913 |
| Chemical Name | 5-(5-fluoropyridin-3-yl)-2-methylaniline |
| IUPAC Name | 5-(5-fluoropyridin-3-yl)-2-methylaniline |
| InChI | InChI=1S/C12H11FN2/c1-8-2-3-9(5-12(8)14)10-4-11(13)7-15-6-10/h2-7H,14H2,1H3 |
| InChI Key | MBOUVANDJGBIOT-UHFFFAOYSA-N |
| MDL Number | MFCD14683940 |
| Molecular Formula | C12H11FN2 |
| Molecular Weight | 202.2275 |
| SMILES | CC1=C(N)C=C(C2=CC(F)=CN=C2)C=C1 |
| Synonyms | 5-(5-fluoropyridin-3-yl)-2-methylaniline,
1249778-79-7,
ZINC49576604,
AKOS010781735,
Z2010010267,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.232g/mol |
| Monoisotopic Mass | 202.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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