| CAS Number | 13771-67-0 |
| Catalog Number | AG00HV2F(AGN-PC-0L9R0M) |
| Chemical Name | Ethyl 5-chloro-1-benzothiophene-2-carboxylate |
| IUPAC Name | ethyl 5-chloro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H9ClO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3 |
| InChI Key | KWUWHICWCSVHOZ-UHFFFAOYSA-N |
| MDL Number | MFCD03069329 |
| Molecular Formula | C11H9ClO2S |
| Molecular Weight | 240.7060 |
| SMILES | CCOC(=O)c1cc2c(s1)ccc(c2)Cl |
| Synonyms | ethyl 5-chloro-1-benzothiophene-2-carboxylate,
13771-67-0,
AC1N99B5,
5-chloro-benzo[b]thiophene-2-carboxylic acid ethyl ester,
SCHEMBL18264030,
ZINC6350444,
Benzo[b]thiophene-2-carboxylic acid, 5-chloro-, ethyl ester,
CID4357064,
Ethyl 5-chlorobenzothiophene-2-carboxylate,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.701g/mol |
| Monoisotopic Mass | 240.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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