3-Bromo-5-methyl-2-furancarboxaldehyde - CAS 183562-13-2
Catalog: |
BB072179 |
Product Name: |
3-Bromo-5-methyl-2-furancarboxaldehyde |
CAS: |
183562-13-2 |
Synonyms: |
3-bromo-5-methylfuran-2-carbaldehyde; 3-Bromo-5-methyl-2-furancarboxaldehyde; 3-bromo-5-methyl-2-furaldehyde; 3-bromo-5-methyl-2-furancarbaldehyde; 2-furancarboxaldehyde, 3-bromo-5-methyl- |
IUPAC Name: | 3-bromo-5-methylfuran-2-carbaldehyde |
Molecular Weight: | 189.01 |
Molecular Formula: | C6H5BrO2 |
Canonical SMILES: | CC1=CC(=C(O1)C=O)Br |
InChI: | InChI=1S/C6H5BrO2/c1-4-2-5(7)6(3-8)9-4/h2-3H,1H3 |
InChI Key: | JMTQAKDHMKGIIU-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Yellow Solid |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.94729 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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