3-Bromo-5-(ethylcarbonyl)-2-methylthiophene - CAS 887576-01-4
Catalog: |
BB071429 |
Product Name: |
3-Bromo-5-(ethylcarbonyl)-2-methylthiophene |
CAS: |
887576-01-4 |
Synonyms: |
3-Bromo-5-(ethylcarbonyl)-2-methylthiophene; 1-(4-bromo-5-methylthiophen-2-yl)propan-1-one |
IUPAC Name: | 1-(4-bromo-5-methylthiophen-2-yl)propan-1-one |
Description: | 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene |
Molecular Weight: | 233.12 |
Molecular Formula: | C8H9BrOS |
Canonical SMILES: | CCC(=O)C1=CC(=C(S1)C)Br |
InChI: | InChI=1S/C8H9BrOS/c1-3-7(10)8-4-6(9)5(2)11-8/h4H,3H2,1-2H3 |
InChI Key: | OQIKLCZYSIVMJR-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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