| CAS Number | 71637-28-0 |
| Catalog Number | AG00IC6N |
| Chemical Name | Methyl (5-chloro-2-thienyl)acetate |
| IUPAC Name | methyl 2-(5-chlorothiophen-2-yl)acetate |
| InChI | InChI=1S/C7H7ClO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3 |
| InChI Key | UDCBKVJFXVVZEI-UHFFFAOYSA-N |
| MDL Number | MFCD04966968 |
| Molecular Formula | C7H7ClO2S |
| Molecular Weight | 190.6473 |
| SMILES | COC(CC1SC(Cl)=CC=1)=O |
| Synonyms | Methyl 2-(5-chlorothiophen-2-yl)acetate,
71637-28-0,
methyl (5-chlorothiophen-2-yl)acetate,
METHYL (5-CHLORO-2-THIENYL)ACETATE,
AC1NFWFU,
ZINC2534082,
BBL020617,
KM5091,
MFCD04966968,
STK893307,
AKOS000278303,
MCULE-4283856583,
CID4714994,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.641g/mol |
| Monoisotopic Mass | 189.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number