| CAS Number | 30779-72-7 |
| Catalog Number | AG01DWBM(AGN-PC-0WAKOX) |
| Chemical Name | 7-bromo-2-methyl-4H-chromen-4-one |
| IUPAC Name | 7-bromo-2-methylchromen-4-one |
| InChI | InChI=1S/C10H7BrO2/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,1H3 |
| InChI Key | HIXGFNGYVIUKGP-UHFFFAOYSA-N |
| MDL Number | MFCD31615524 |
| Molecular Formula | C10H7BrO2 |
| Molecular Weight | 239.0654 |
| SMILES | CC1OC2=C(C=CC(=C2)Br)C(=O)C=1 |
| Synonyms | 7-bromo-2-methyl-4H-chromen-4-one,
30779-72-7,
SCHEMBL19685794,
AKOS028113452,
ZINC575444883,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.068g/mol |
| Monoisotopic Mass | 237.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number