| CAS Number | 1065184-23-7 |
| Catalog Number | AG00HAU8(AGN-PC-0WRAAK) |
| Chemical Name | 4-Bromo-2-(ethoxymethyl)thiophene |
| IUPAC Name | 4-bromo-2-(ethoxymethyl)thiophene |
| InChI | InChI=1S/C7H9BrOS/c1-2-9-4-7-3-6(8)5-10-7/h3,5H,2,4H2,1H3 |
| InChI Key | YUWSQIHDUSSKRN-UHFFFAOYSA-N |
| MDL Number | MFCD16095116 |
| Molecular Formula | C7H9BrOS |
| Molecular Weight | 221.1148 |
| SMILES | CCOCC1SC=C(Br)C=1 |
| Synonyms | 4-bromo-2-(ethoxymethyl)thiophene,
1065184-23-7,
Thiophene, 4-bromo-2-(ethoxymethyl)-,
SCHEMBL10211520,
ZINC43687513,
AKOS011012799,
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| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.112g/mol |
| Monoisotopic Mass | 219.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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