| CAS Number | 104314-04-7 |
| Catalog Number | AG008ZF4(AGN-PC-0OT609) |
| Chemical Name | 3-(4-Fluorophenyl)-2-(thiophen-2-yl)acrylic acid |
| IUPAC Name | 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid |
| InChI | InChI=1S/C13H9FO2S/c14-10-5-3-9(4-6-10)8-11(13(15)16)12-2-1-7-17-12/h1-8H,(H,15,16) |
| InChI Key | SSDFXAHSMOGNIW-UHFFFAOYSA-N |
| MDL Number | MFCD02725302 |
| Molecular Formula | C13H9FO2S |
| Molecular Weight | 248.2728 |
| SMILES | OC(C(C1SC=CC=1)=CC1=CC=C(F)C=C1)=O |
| Synonyms | 104314-04-7,
2-Thiopheneacetic acid,a-[(4-fluorophenyl)methylene]-,
3-(4-Fluorophenyl)-2-(thiophen-2-yl)acrylic acid,
Enamine_002036,
AC1MRVZQ,
ACMC-1BOKI,
3-(4-fluorophenyl)-2-(thiophen-2-yl)prop-2-enoic acid,
CTK4A2939,
DTXSID40393302,
AKOS034457999,
MCULE-2275014665,
3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid,
Z56821884,
CID3524685,
3-(4-Fluoro-phenyl)-2-thiophen-2-yl-acrylic acid,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.271g/mol |
| Monoisotopic Mass | 248.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number