5-Bromo-4-methylthiophene-2-boronic Acid Pinacol ester - CAS 1111095-99-8
Catalog: |
BB071507 |
Product Name: |
5-Bromo-4-methylthiophene-2-boronic Acid Pinacol ester |
CAS: |
1111095-99-8 |
Synonyms: |
2-(5-Bromo-4-methyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 5-Bromo-4-methylthiophene-2-boronic acid, pinacol ester |
Molecular Weight: | 321.04 |
Molecular Formula: | C11H18BBrO3S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(S2)Br)C |
InChI: | InChI=1S/C11H16BBrO2S/c1-7-6-8(16-9(7)13)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3 |
InChI Key: | BHDPHFRKQRKEPW-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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