| CAS Number | 1261925-85-2 |
| Catalog Number | AG000S6R(AGN-PC-0WABF7) |
| Chemical Name | 5-Fluoro-3-(thiophen-3-yl)benzoic acid |
| IUPAC Name | 3-fluoro-5-thiophen-3-ylbenzoic acid |
| 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 |
| MDL Number | MFCD18318888 |
| Molecular Formula | C11H7FO2S |
| Molecular Weight | 222.2355 |
| SMILES | Fc1cc(cc(c1)c1cscc1)C(=O)O |
| Synonyms | 1261925-85-2,
3-Fluoro-5-(thiophen-3-yl)benzoic acid,
5-FLUORO-3-(THIOPHEN-3-YL)BENZOIC ACID,
ACMC-209b5c,
CTK8A9739,
DTXSID00688564,
ANW-18718,
MFCD18318888,
ZINC65349430,
AKOS015888685,
3-Fluoro-5-thiophen-3-yl-benzoic acid,
Benzoic acid, 3-fluoro-5-(3-thienyl)-,
AJ-115380,
TC-107463,
Z9153,
A-2757,
A1-13321,
I01-11724,
C11H7FO2S,
3-Fluoro-5-(thiophen-3-yl)benzoicacid,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.233g/mol |
| Monoisotopic Mass | 222.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number