| CAS Number | 1221974-43-1 |
| Catalog Number | AG0016X4(AGN-PC-0WCYP6) |
| Chemical Name | 5-Fluoroisoquinolin-3-amine |
| IUPAC Name | 5-fluoroisoquinolin-3-amine |
| InChI | InChI=1S/C9H7FN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12) |
| InChI Key | GGVILZNUGKTWQO-UHFFFAOYSA-N |
| MDL Number | MFCD15526593 |
| Molecular Formula | C9H7FN2 |
| Molecular Weight | 162.1637 |
| SMILES | NC1=CC2=C(C=N1)C=CC=C2F |
| Synonyms | 5-FLUOROISOQUINOLIN-3-AMINE,
1221974-43-1,
3-Isoquinolinamine, 5-fluoro-,
SCHEMBL559707,
MFCD15526593,
ZINC91692366,
AKOS027330403,
FCH1182296,
SB21458,
AS-38810,
SC-34649,
AX8328894,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.167g/mol |
| Monoisotopic Mass | 162.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number