2-Bromo-3-methyl-4H-chromen-4-one
Catalog: |
BB073103 |
Product Name: |
2-Bromo-3-methyl-4H-chromen-4-one |
Synonyms: |
2-Bromo-3-methyl-4H-chromen-4-one |
IUPAC Name: | 2-bromo-3-methylchromen-4-one |
Molecular Weight: | 239.07 |
Molecular Formula: | C10H7BrO2 |
Canonical SMILES: | CC1=C(OC2=CC=CC=C2C1=O)Br |
InChI: | InChI=1S/C10H7BrO2/c1-6-9(12)7-4-2-3-5-8(7)13-10(6)11/h2-5H,1H3 |
InChI Key: | WUSISXUSEITJMF-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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