| CAS Number | 1049607-01-3 |
| Catalog Number | AG019MMR |
| Chemical Name | 3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid |
| IUPAC Name | 3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid |
| InChI | InChI=1S/C13H9ClO2S/c14-10-3-1-2-9(8-10)12-6-4-11(17-12)5-7-13(15)16/h1-8H,(H,15,16) |
| InChI Key | QFQDTSSZYXGBKD-UHFFFAOYSA-N |
| MDL Number | MFCD10686930 |
| Molecular Formula | C13H9ClO2S |
| Molecular Weight | 264.7274 |
| SMILES | OC(C=CC1SC(C2=CC(Cl)=CC=C2)=CC=1)=O |
| Synonyms | 1049607-01-3,
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid,
CTK7I5609,
MCULE-8842116213,
Z380844506,
3-[5-(3-chlorophenyl)thien-2-yl]acrylic acid,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.723g/mol |
| Monoisotopic Mass | 264.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number