| CAS Number | 1026982-77-3 |
| Catalog Number | AG019X15(AGN-PC-0WO6QZ) |
| Chemical Name | 8-Bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 8-bromo-6-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H9BrO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3 |
| InChI Key | UXJVBNRUWGNFAQ-UHFFFAOYSA-N |
| MDL Number | MFCD11104775 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | O=C1CCOC2=C(Br)C=C(C)C=C12 |
| Synonyms | 8-bromo-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one,
1026982-77-3,
AC1Q2OBC,
CTK6B4261,
ZINC34519767,
AKOS008124157,
MCULE-1091133895,
NE21781,
EN300-53760,
AB01000541-01,
Z812517082,
8-bromo-6-methyl-chroman-4-one,
CID11379479,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number