| CAS Number | 1056999-20-2 |
| Catalog Number | AG01ACVX(AGN-PC-0WO6ST) |
| Chemical Name | 1-(3-fluorophenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-(3-fluorophenyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H8FN3/c10-7-2-1-3-8(6-7)13-9(11)4-5-12-13/h1-6H,11H2 |
| InChI Key | MZJNZHUWJXPVJJ-UHFFFAOYSA-N |
| MDL Number | MFCD14690582 |
| Molecular Formula | C9H8FN3 |
| Molecular Weight | 177.1783 |
| SMILES | NC1N(C2=CC(F)=CC=C2)N=CC=1 |
| Synonyms | 1-(3-fluorophenyl)-1H-pyrazol-5-amine,
1056999-20-2,
2-(3-Fluorophenyl)-2H-pyrazol-3-ylamine,
SCHEMBL544667,
ZINC42325665,
AKOS010813758,
KS-6971,
NE19814,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.182g/mol |
| Monoisotopic Mass | 177.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number