| CAS Number | 848322-75-8 |
| Catalog Number | AG00GACV(AGN-PC-0WBDQD) |
| Chemical Name | 3-Acetyl-7-bromochromen-2-one |
| IUPAC Name | 3-acetyl-7-bromochromen-2-one |
| InChI | InChI=1S/C11H7BrO3/c1-6(13)9-4-7-2-3-8(12)5-10(7)15-11(9)14/h2-5H,1H3 |
| InChI Key | SSYBUBRVVKSXGP-UHFFFAOYSA-N |
| MDL Number | MFCD07801000 |
| Molecular Formula | C11H7BrO3 |
| Molecular Weight | 267.0755 |
| SMILES | Brc1ccc2c(c1)oc(=O)c(c2)C(=O)C |
| Synonyms | 3-acetyl-7-bromochromen-2-one,
848322-75-8,
3-acetyl-7-bromo-2H-chromen-2-one,
2H-1-Benzopyran-2-one, 3-acetyl-7-bromo-,
SSYBUBRVVKSXGP-UHFFFAOYSA-N,
3-acetyl-7-bromo-2-oxochromene,
ZERO/004812,
AC1NP9CH,
SCHEMBL15066602,
ZINC4344065,
SBB012976,
STK785935,
AKOS005621052,
MCULE-7077400707,
ST4131779,
A4135/0176333,
CID5200322,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.078g/mol |
| Monoisotopic Mass | 265.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number