| CAS Number | 848178-49-4 |
| Catalog Number | AG019OGI(AGN-PC-0WO3W9) |
| Chemical Name | methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C9H7ClO4S/c1-14-9(13)6(12)4-5(11)7-2-3-8(10)15-7/h2-3H,4H2,1H3 |
| InChI Key | PRBFOJLTYZLZGW-UHFFFAOYSA-N |
| MDL Number | MFCD07324846 |
| Molecular Formula | C9H7ClO4S |
| Molecular Weight | 246.6675 |
| SMILES | COC(C(CC(C1SC(Cl)=CC=1)=O)=O)=O |
| Synonyms | methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate,
848178-49-4,
methyl 4-(5-chlorothien-2-yl)-2,4-dioxobutanoate,
AC1NLR33,
AC1Q41N3,
CTK6I6943,
AKOS009016551,
ZINC100490049,
MCULE-2418638661,
NE13523,
NCGC00341324-01,
EN300-13949,
AB01331773-02,
SR-01000072422,
SR-01000072422-1,
Z94601373,
CID4962746,
Methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxo-butanoate,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.661g/mol |
| Monoisotopic Mass | 245.975g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number