| CAS Number | 215999-39-6 |
| Catalog Number | AG00BJVB(AGN-PC-0WNGK9) |
| Chemical Name | 3-Bromo-6-methoxy-2-phenyl-4H-chromen-4-one |
| IUPAC Name | 3-bromo-6-methoxy-2-phenylchromen-4-one |
| InChI | InChI=1S/C16H11BrO3/c1-19-11-7-8-13-12(9-11)15(18)14(17)16(20-13)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChI Key | BHKMXGOQUDKUEH-UHFFFAOYSA-N |
| MDL Number | MFCD24386866 |
| Molecular Formula | C16H11BrO3 |
| Molecular Weight | 331.1607 |
| SMILES | BrC1=C(OC2=CC=C(C=C2C1=O)OC)C1=CC=CC=C1 |
| Synonyms | 3-Bromo-6-methoxy-2-phenyl-4H-chromen-4-one,
215999-39-6,
3-Bromo-6-methoxyflavone,
KS-00000TCN,
MFCD24386866,
ZINC39049454,
DS-9947,
AK198852,
CID10592583,
3-bromo-6-methoxy-2-phenyl-chromen-4-one,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.165g/mol |
| Monoisotopic Mass | 329.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number