| CAS Number | 1453836-34-4 |
| Catalog Number | AG01C1RC |
| Chemical Name | 2-Fluoro-6-(1H-pyrazol-1-yl)benzenemethanamine |
| IUPAC Name | (2-fluoro-6-pyrazol-1-ylphenyl)methanamine |
| InChI | InChI=1S/C10H10FN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H,7,12H2 |
| InChI Key | ZNXJXCNUSGGPBU-UHFFFAOYSA-N |
| MDL Number | MFCD21944352 |
| Molecular Formula | C10H10FN3 |
| Molecular Weight | 191.2049 |
| SMILES | NCC1=C(N2N=CC=C2)C=CC=C1F |
| Synonyms | [2-fluoro-6-(1H-pyrazol-1-yl)phenyl]methanamine,
1453836-34-4,
SCHEMBL15238169,
ZINC86476540,
AKOS018071517,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.209g/mol |
| Monoisotopic Mass | 191.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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