| CAS Number | 1293039-30-1 |
| Catalog Number | AG019QLN |
| Chemical Name | 3-[(5-Bromothiophen-3-yl)methoxy]-4-methylbenzoic acid |
| IUPAC Name | 3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzoic acid |
| InChI | InChI=1S/C13H11BrO3S/c1-8-2-3-10(13(15)16)5-11(8)17-6-9-4-12(14)18-7-9/h2-5,7H,6H2,1H3,(H,15,16) |
| InChI Key | QJFLFJMXQSAROL-UHFFFAOYSA-N |
| MDL Number | MFCD13473854 |
| Molecular Formula | C13H11BrO3S |
| Molecular Weight | 327.1936 |
| SMILES | CC1=C(OCC2C=C(Br)SC=2)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzoic acid,
1293039-30-1,
ZINC42340531,
AKOS010267307,
MCULE-4765825337,
NE26504,
EN300-87909,
Z729293864,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.192g/mol |
| Monoisotopic Mass | 325.961g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number