5-Bromo-2-ethoxypyridine-3-boronic Acid - CAS 871332-98-8
Catalog: |
BB038297 |
Product Name: |
5-Bromo-2-ethoxypyridine-3-boronic Acid |
CAS: |
871332-98-8 |
Synonyms: |
(5-bromo-2-ethoxy-3-pyridinyl)boronic acid; (5-bromo-2-ethoxypyridin-3-yl)boronic acid |
IUPAC Name: | (5-bromo-2-ethoxypyridin-3-yl)boronic acid |
Description: | 5-Bromo-2-ethoxypyridine-3-boronic Acid (CAS# 871332-98-8) is a useful research chemical. |
Molecular Weight: | 245.87 |
Molecular Formula: | C7H9BrNO3B |
Canonical SMILES: | B(C1=CC(=CN=C1OCC)Br)(O)O |
InChI: | InChI=1S/C7H9BBrNO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4,11-12H,2H2,1H3 |
InChI Key: | VXXXKWUXSALQQW-UHFFFAOYSA-N |
LogP: | -0.07740 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.98589 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.98589 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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