3-bromo-5-methylthiophene-2-carboxylic acid - CAS 61285-29-8
Catalog: |
BB073267 |
Product Name: |
3-bromo-5-methylthiophene-2-carboxylic acid |
CAS: |
61285-29-8 |
Synonyms: |
3-bromo-5-methylthiophene-2-carboxylic acid; 2-Thiophenecarboxylic acid, 3-bromo-5-methyl-; 3-bromo-5-methyl-thiophene-2-carboxylic Acid |
IUPAC Name: | 3-bromo-5-methylthiophene-2-carboxylic acid |
Description: | 3-bromo-5-methylthiophene-2-carboxylic acid |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | CC1=CC(=C(S1)C(=O)O)Br |
InChI: | InChI=1S/C6H5BrO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,1H3,(H,8,9) |
InChI Key: | PMAKMJUFILUVSV-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.91936 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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