| CAS Number | 34967-65-2 |
| Catalog Number | AG019Z29(AGN-PC-0434VK) |
| Chemical Name | 4-(2,5-Dichlorothiophen-3-yl)butanoic acid |
| IUPAC Name | 4-(2,5-dichlorothiophen-3-yl)butanoic acid |
| InChI | InChI=1S/C8H8Cl2O2S/c9-6-4-5(8(10)13-6)2-1-3-7(11)12/h4H,1-3H2,(H,11,12) |
| InChI Key | YVWAQSHXWYMXCF-UHFFFAOYSA-N |
| MDL Number | MFCD11642200 |
| Molecular Formula | C8H8Cl2O2S |
| Molecular Weight | 239.1189 |
| SMILES | OC(CCCC1=C(Cl)SC(Cl)=C1)=O |
| Synonyms | 4-(2,5-dichlorothiophen-3-yl)butanoic acid,
34967-65-2,
SCHEMBL6798230,
ZINC37379645,
AKOS009376983,
MCULE-9247434801,
NE24820,
3-Thiophenebutanoic acid, 2,5-dichloro-,
FT-0747427,
gamma-(2,5-dichloro-3-thienyl)butyric acid,
Z1415889604,
2,5-dichloro-3-Thiophenebutanoic acid,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.11g/mol |
| Monoisotopic Mass | 237.962g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number