1-(4-amino-2-fluorophenyl)-1H-pyrazole-3-carboxylic acid - CAS 1356543-24-2
Catalog: |
BB052172 |
Product Name: |
1-(4-amino-2-fluorophenyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
1356543-24-2 |
Synonyms: |
1-(4-amino-2-fluorophenyl)-1H-pyrazole-3-carboxylicacid |
IUPAC Name: | 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid |
Molecular Weight: | 221.19 |
Molecular Formula: | C10H8FN3O2 |
Canonical SMILES: | C1=CC(=C(C=C1N)F)N2C=CC(=N2)C(=O)O |
InChI: | InChI=1S/C10H8FN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16) |
InChI Key: | FIWHRRFQJRQFLW-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06005467 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06005467 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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