8-Fluoro-5-isoquinolinecarboxylic Acid Methyl Ester - CAS 1540628-23-6
Catalog: |
BB063385 |
Product Name: |
8-Fluoro-5-isoquinolinecarboxylic Acid Methyl Ester |
CAS: |
1540628-23-6 |
Synonyms: |
Methyl 8-fluoroisoquinoline-5-carboxylate; 8-Fluoro-isoquinoline-5-carboxylic acid methyl ester |
IUPAC Name: | methyl 8-fluoroisoquinoline-5-carboxylate |
Molecular Weight: | 205.19 |
Molecular Formula: | C11H8FNO2 |
Canonical SMILES: | COC(=O)C1=C2C=CN=CC2=C(C=C1)F |
InChI: | InChI=1S/C11H8FNO2/c1-15-11(14)8-2-3-10(12)9-6-13-5-4-7(8)9/h2-6H,1H3 |
InChI Key: | QTEVQKTYBWTYEX-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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