| CAS Number | 40125-53-9 |
| Catalog Number | AG00CLFB(AGN-PC-0NI9PF) |
| Chemical Name | 5-bromo-furan-2(5H)-one |
| IUPAC Name | 2-bromo-2H-furan-5-one |
| InChI | InChI=1S/C4H3BrO2/c5-3-1-2-4(6)7-3/h1-3H |
| InChI Key | ODQLAECNMKXOBI-UHFFFAOYSA-N |
| MDL Number | MFCD15146115 |
| Molecular Formula | C4H3BrO2 |
| Molecular Weight | 162.9694 |
| SMILES | BrC1C=CC(=O)O1 |
| Synonyms | 5-Bromofuran-2(5H)-one,
40125-53-9,
2(5H)-Furanone, 5-bromo-,
5-bromo-2,5-dihydrofuran-2-one,
3-Bromo-3-crotonolactone,
5-Bromo-2(5H)-furanone,
5-broMo-furan-2(5H)-one,
SCHEMBL5675540,
CTK1D4784,
DTXSID60482787,
5-Bromo-2,5-dihydro-2-oxofuran,
5337AB,
(+/-)-5-Bromo-2(5H)-furanone,
NE24836,
UNII-MQW8UB39HE,
C4H3BrO2,
MQW8UB39HE,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.97g/mol |
| Monoisotopic Mass | 161.932g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number