| CAS Number | 1178482-37-5 |
| Catalog Number | AG01A159 |
| Chemical Name | 1-[4-(4-chloro-1H-pyrazol-1-yl)-3-fluorophenyl]ethan-1-amine |
| IUPAC Name | 1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanamine |
| InChI | InChI=1S/C11H11ClFN3/c1-7(14)8-2-3-11(10(13)4-8)16-6-9(12)5-15-16/h2-7H,14H2,1H3 |
| InChI Key | YJBUNAFIDMMSEF-UHFFFAOYSA-N |
| MDL Number | MFCD12822934 |
| Molecular Formula | C11H11ClFN3 |
| Molecular Weight | 239.6765 |
| SMILES | CC(C1=CC(F)=C(N2N=CC(Cl)=C2)C=C1)N |
| Synonyms | 1-[4-(4-chloro-1H-pyrazol-1-yl)-3-fluorophenyl]ethan-1-amine,
1178482-37-5,
AKOS010265648,
NE55892,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.678g/mol |
| Monoisotopic Mass | 239.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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