| CAS Number | 845790-40-1 |
| Catalog Number | AG008HHG(AGN-PC-0KKM4M) |
| Chemical Name | 5-(5-Chlorothiophen-2-yl)-5-oxopentanoic acid |
| IUPAC Name | 5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid |
| InChI | InChI=1S/C9H9ClO3S/c10-8-5-4-7(14-8)6(11)2-1-3-9(12)13/h4-5H,1-3H2,(H,12,13) |
| InChI Key | DJQOCQPXZYBTPA-UHFFFAOYSA-N |
| MDL Number | MFCD06201688 |
| Molecular Formula | C9H9ClO3S |
| Molecular Weight | 232.6840 |
| SMILES | OC(=O)CCCC(=O)c1ccc(s1)Cl |
| Synonyms | 5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid,
845790-40-1,
5-(5-Chloro-2-thienyl)-5-oxovaleric acid,
AC1MBWZC,
CTK5F2683,
DTXSID00374071,
ZINC4253768,
7220c,
AKOS009243247,
MCULE-8821560724,
AJ-49723,
AK151425,
AX8288040,
ST51042117,
5-(5-chloro(2-thienyl))-5-oxopentanoic acid,
5- -5-OXOVALERICACID,
CID2757922,
4-(3,4-Difluorophenyl)-4-oxobutyric acid,
5-(5-chlorothiophen-2-yl)-5-oxo-pentanoic Acid,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.678g/mol |
| Monoisotopic Mass | 231.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number