| CAS Number | 1449117-60-5 |
| Catalog Number | AG001KCP(AGN-PC-0WAGPJ) |
| Chemical Name | Benzenemethanamine, 3-fluoro-4-(2-fluoro-4-pyridinyl)-, hydrochloride (1:1) |
| IUPAC Name | [3-fluoro-4-(2-fluoropyridin-4-yl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H10F2N2.ClH/c13-11-5-8(7-15)1-2-10(11)9-3-4-16-12(14)6-9;/h1-6H,7,15H2;1H |
| InChI Key | QDGRYYBNDXFJHT-UHFFFAOYSA-N |
| MDL Number | MFCD23704691 |
| Molecular Formula | C12H11ClF2N2 |
| Molecular Weight | 256.6789 |
| SMILES | Cl.FC=1C=C(C=CC1C1=CC(=NC=C1)F)CN |
| Synonyms | 1449117-60-5,
(3-Fluoro-4-(2-fluoropyridin-4-yl)phenyl)methanamine hydrochloride,
(3-Fluoro-4-(2-fluoropyridin-4-yl)phenyl)methanamine HCl,
MFCD23704691,
AKOS024462509,
AK161389,
PC400546,
AX8294333,
CS-0036143,
(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)methanamine hydrochloride, 95% - 1G 1g,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.681g/mol |
| Monoisotopic Mass | 256.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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