3-Acetyl-7-bromochromen-2-one - CAS 848322-75-8
Catalog: |
BB061195 |
Product Name: |
3-Acetyl-7-bromochromen-2-one |
CAS: |
848322-75-8 |
Synonyms: |
3-acetyl-7-bromochromen-2-one; 2H-1-Benzopyran-2-one, 3-acetyl-7-bromo-; 3-acetyl-7-bromo-2H-chromen-2-one |
IUPAC Name: | 3-acetyl-7-bromochromen-2-one |
Description: | 3-Acetyl-7-bromochromen-2-one |
Molecular Weight: | 267.08 |
Molecular Formula: | C11H7BrO3 |
Canonical SMILES: | CC(=O)C1=CC2=C(C=C(C=C2)Br)OC1=O |
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 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.95786 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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