3-Bromo-5-methylthiophene-2-boronic acid - CAS 1351859-39-6
Catalog: |
BB071501 |
Product Name: |
3-Bromo-5-methylthiophene-2-boronic acid |
CAS: |
1351859-39-6 |
Synonyms: |
3-BROMO-5-METHYLTHIOPHENE-2-BORONIC ACID; (3-bromo-5-methylthiophen-2-yl)boronic acid |
IUPAC Name: | (3-bromo-5-methylthiophen-2-yl)boronic acid |
Description: | 3-Bromo-5-methylthiophene-2-boronic acid |
Molecular Weight: | 220.88 |
Molecular Formula: | C5H6BBrO2S |
Canonical SMILES: | B(C1=C(C=C(S1)C)Br)(O)O |
InChI: | InChI=1S/C5H6BBrO2S/c1-3-2-4(7)5(10-3)6(8)9/h2,8-9H,1H3 |
InChI Key: | MJENRTSJWSKNLP-UHFFFAOYSA-N |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.93649 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.93649 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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