4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester - CAS 1310404-98-8
Catalog: |
BB071508 |
Product Name: |
4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester |
CAS: |
1310404-98-8 |
Synonyms: |
4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester; 2-(4-bromo-5-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-bromo-5-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester |
Molecular Weight: | 303.02 |
Molecular Formula: | C11H16BBrO2S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(S2)C)Br |
InChI: | InChI=1S/C11H16BBrO2S/c1-7-8(13)6-9(16-7)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3 |
InChI Key: | FPIDNDGAFKWMHD-UHFFFAOYSA-N |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.01474 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.01474 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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