Methyl 6-Fluoro-1H-indazole-5-carboxylate - CAS 633327-39-6
Catalog: |
BB065306 |
Product Name: |
Methyl 6-Fluoro-1H-indazole-5-carboxylate |
CAS: |
633327-39-6 |
Synonyms: |
6-Fluoro-5-indazolecarboxylic acid methyl ester; methyl 6-fluoro-1H-indazole-5-carboxylate; 1h-indazole-5-carboxylic acid,6-fluoro-,methyl ester |
IUPAC Name: | methyl 6-fluoro-1H-indazole-5-carboxylate |
Molecular Weight: | 194.16 |
Molecular Formula: | C9H7N2O2F |
Canonical SMILES: | COC(=O)C1=C(C=C2C(=C1)C=NN2)F |
InChI: | InChI=1S/C9H7FN2O2/c1-14-9(13)6-2-5-4-11-12-8(5)3-7(6)10/h2-4H,1H3,(H,11,12) |
InChI Key: | DMMMUSOUXYYTES-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.04915563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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