5-Fluoro-3-(thiophen-3-yl)benzoic acid - CAS 1261925-85-2
Catalog: |
BB064829 |
Product Name: |
5-Fluoro-3-(thiophen-3-yl)benzoic acid |
CAS: |
1261925-85-2 |
Synonyms: |
3-Fluoro-5-(thiophen-3-yl)benzoic acid; 5-FLUORO-3-(THIOPHEN-3-YL)BENZOIC ACID; 3-fluoro-5-thiophen-3-ylbenzoic acid; 3-Fluoro-5-(thiophen-3-yl)benzoicacid |
IUPAC Name: | 3-fluoro-5-thiophen-3-ylbenzoic acid |
Description: | 5-Fluoro-3-(thiophen-3-yl)benzoic acid |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H7FO2S |
Canonical SMILES: | C1=CSC=C1C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C11H7FO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-10)11(13)14/h1-6H,(H,13,14) |
InChI Key: | HIPLDDAWLQXWFB-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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