| CAS Number | 69746-86-7 |
| Catalog Number | AG00FLNO(AGN-PC-0TWMXF) |
| Chemical Name | 2-Chloro-1-(2,5-dibromothiophen-3-yl)ethanone |
| IUPAC Name | 2-chloro-1-(2,5-dibromothiophen-3-yl)ethanone |
| InChI | InChI=1S/C6H3Br2ClOS/c7-5-1-3(4(10)2-9)6(8)11-5/h1H,2H2 |
| InChI Key | ICLXHVWADVHPDY-UHFFFAOYSA-N |
| MDL Number | MFCD06660758 |
| Molecular Formula | C6H3Br2ClOS |
| Molecular Weight | 318.4134 |
| SMILES | ClCC(C1=C(Br)SC(Br)=C1)=O |
| Synonyms | 2-chloro-1-(2,5-dibromothien-3-yl)ethanone,
69746-86-7,
2-chloro-1-(2,5-dibromothiophen-3-yl)ethan-1-one,
2-chloro-1-(2,5-dibromothiophen-3-yl)ethanone,
AC1NLPRF,
AC1Q3T94,
CTK5D1209,
DTXSID50406957,
ZINC4205213,
AKOS000123017,
EN300-12393,
Ethanone,2-chloro-1-(2,5-dibromo-3-thienyl)-,
ZINC04205213,
CID4961869,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.794g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.407g/mol |
| Monoisotopic Mass | 315.796g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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