| CAS Number | 946427-88-9 |
| Catalog Number | AG00IIEZ(AGN-PC-0WOFRB) |
| Chemical Name | ethyl6-bromo-1-benzothiophene-3-carboxylate |
| IUPAC Name | ethyl 6-bromo-1-benzothiophene-3-carboxylate |
| InChI | InChI=1S/C11H9BrO2S/c1-2-14-11(13)9-6-15-10-5-7(12)3-4-8(9)10/h3-6H,2H2,1H3 |
| InChI Key | POLGDYGGGGODRD-UHFFFAOYSA-N |
| MDL Number | MFCD28501951 |
| Molecular Formula | C11H9BrO2S |
| Molecular Weight | 285.1570 |
| SMILES | CCOC(=O)C1=CSC2=C1C=CC(Br)=C2 |
| Synonyms | ethyl 6-bromo-1-benzothiophene-3-carboxylate,
946427-88-9,
ethyl6-bromo-1-benzothiophene-3-carboxylate,
Ethyl 6-bromobenzo[b]thiophene-3-carboxylate,
SCHEMBL1096821,
KS-000005ZC,
MFCD28501951,
ZINC115226830,
SB15853,
AS-52352,
CS-0049426,
Benzo[b]thiophene-3-carboxylic acid, 6-bromo-, ethyl ester,
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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 | 283.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.155g/mol |
| Monoisotopic Mass | 283.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number