| CAS Number | 59107-74-3 |
| Catalog Number | AG00EKVO(AGN-PC-0N70NJ) |
| Chemical Name | 3-Bromo-4-methylfuran-2,5-dione |
| IUPAC Name | 3-bromo-4-methylfuran-2,5-dione |
| InChI | InChI=1S/C5H3BrO3/c1-2-3(6)5(8)9-4(2)7/h1H3 |
| InChI Key | AFFQJNROJVXRMN-UHFFFAOYSA-N |
| MDL Number | MFCD18205875 |
| Molecular Formula | C5H3BrO3 |
| Molecular Weight | 190.9795 |
| SMILES | O=C1OC(=O)C(=C1Br)C |
| Synonyms | 3-Bromo-4-methylfuran-2,5-dione,
59107-74-3,
2,5-Furandione, 3-bromo-4-methyl-,
SCHEMBL2084497,
AFFQJNROJVXRMN-UHFFFAOYSA-N,
3-bromo-4-methyl-2,5-furandione,
3-Methyl-4-bromofuran-2,5-dione,
3-bromo-4-methyl-furan-2,5-dione,
CID10583854,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.98g/mol |
| Monoisotopic Mass | 189.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number