2-Fluoro-5-(thiophen-3-yl)benzoic acid - CAS 1261993-00-3
Catalog: |
BB064831 |
Product Name: |
2-Fluoro-5-(thiophen-3-yl)benzoic acid |
CAS: |
1261993-00-3 |
Synonyms: |
2-FLUORO-5-(THIOPHEN-3-YL)BENZOIC ACID; 2-fluoro-5-thiophen-3-ylbenzoic acid; 2-Fluoro-5-(thiophen-3-yl)benzoicacid |
IUPAC Name: | 2-fluoro-5-thiophen-3-ylbenzoic acid |
Description: | 2-Fluoro-5-(thiophen-3-yl)benzoic acid |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H7FO2S |
Canonical SMILES: | C1=CC(=C(C=C1C2=CSC=C2)C(=O)O)F |
InChI: | InChI=1S/C11H7FO2S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6H,(H,13,14) |
InChI Key: | CYISDRCRIVBKGS-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: | 222.0150788 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0150788 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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