| CAS Number | 22037-29-2 |
| Catalog Number | AG007Q4T(AGN-PC-006QW1) |
| Chemical Name | 1-(3-Bromofuran-2-yl)ethanone |
| IUPAC Name | 1-(3-bromofuran-2-yl)ethanone |
| InChI | InChI=1S/C6H5BrO2/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3 |
| InChI Key | QPZZLTOSEPARRM-UHFFFAOYSA-N |
| MDL Number | MFCD19611108 |
| Molecular Formula | C6H5BrO2 |
| Molecular Weight | 189.0067 |
| SMILES | c1(ccoc1C(=O)C)Br |
| Synonyms | 2-Acetyl-3-bromofuran,
22037-29-2,
1-(3-bromofuran-2-yl)ethan-1-one,
1-(3-bromofuran-2-yl)ethanone,
Ethanone, 1-(3-bromo-2-furanyl)-,
SCHEMBL5054764,
CTK0J6827,
DTXSID50462250,
QPZZLTOSEPARRM-UHFFFAOYSA-N,
ZINC68577147,
AKOS013247828,
NE48254,
EN300-82813,
1-(3-bromo-2-furyl)ethanone,
CID11321414,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.008g/mol |
| Monoisotopic Mass | 187.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number