1-(2-Bromo-4-methylphenyl)ethanone - CAS 103286-27-7
Catalog: |
BB054713 |
Product Name: |
1-(2-Bromo-4-methylphenyl)ethanone |
CAS: |
103286-27-7 |
Synonyms: |
Ethanone, 1-(2-bromo-4-methylphenyl)- |
IUPAC Name: | 1-(2-bromo-4-methylphenyl)ethanone |
Molecular Weight: | 213.07 |
Molecular Formula: | C9H9BrO |
Canonical SMILES: | CC1=CC(=C(C=C1)C(=O)C)Br |
InChI: | InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,1-2H3 |
InChI Key: | WQUTYGRAHPHFBE-UHFFFAOYSA-N |
Boiling Point: | 274.7±28.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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