| CAS Number | 1273604-53-7 |
| Catalog Number | AG01EL7Z |
| Chemical Name | 7-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 7-bromo-6-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H9BrO2/c1-6-4-7-9(12)2-3-13-10(7)5-8(6)11/h4-5H,2-3H2,1H3 |
| InChI Key | QHMGUUVXVCGCLI-UHFFFAOYSA-N |
| MDL Number | MFCD18648664 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | CC1=C(Br)C=C2C(C(CCO2)=O)=C1 |
| Synonyms | 7-bromo-6-methylchroman-4-one,
1273604-53-7,
7-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number