3-Bromo-2-isopropoxy-5-formylphenylboronic acid
Product Information
Molecular Formula
C10H12BBrO4
Molecular Weight
286.91
Description
3-Bromo-2-isopropoxy-5-formylphenylboronic acid (CAS# 1072951-86-0) is a useful research chemical.
Synonyms
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
IUPAC Name
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OC(C)C)Br)C=O)(O)O
InChI
InChI=1S/C10H12BBrO4/c1-6(2)16-10-8(11(14)15)3-7(5-13)4-9(10)12/h3-6,14-15H,1-2H3
InChI Key
JDRHFOMNQQEZJZ-UHFFFAOYSA-N
Melting Point
105-109 °C
Purity
97 %
Storage
2-8 °C
LogP
0.72860
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
286.00120 g/mol
Monoisotopic Mass
286.00120 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
237
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4946 | 1976-01-01 | Policy statement on the changeover to Système International (SI) in Acta anaesthesiological Scandinavica | Acta anaesthesiologica Scandinavica |
| 3121 | 1975-12-01 | A rapid method for seperation and identification of several hexuronic acids and hexuronic acid-containing oligosaccharides | Analytical biochemistry |
