1-(2-Bromo-4-methylthiazol-5-yl)ethanone - CAS 1093106-54-7
Catalog: |
BB054722 |
Product Name: |
1-(2-Bromo-4-methylthiazol-5-yl)ethanone |
CAS: |
1093106-54-7 |
Synonyms: |
1-(2-Bromo-4-methylthiazol-5-yl)ethan-1-one; 2-bromo-4-methyl-5-acetylthiazole |
IUPAC Name: | 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone |
Molecular Weight: | 220.09 |
Molecular Formula: | C6H6BrNOS |
Canonical SMILES: | CC1=C(SC(=N1)Br)C(=O)C |
InChI: | InChI=1S/C6H6BrNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3 |
InChI Key: | RZEIEXBCYWPGCZ-UHFFFAOYSA-N |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93535 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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