4'-(Methoxycarbonyl)biphenyl-4-boronic Acid - CAS 501944-43-0
Catalog: |
BB026950 |
Product Name: |
4'-(Methoxycarbonyl)biphenyl-4-boronic Acid |
CAS: |
501944-43-0 |
Synonyms: |
[4-(4-methoxycarbonylphenyl)phenyl]boronic acid; [4-(4-methoxycarbonylphenyl)phenyl]boronic acid |
IUPAC Name: | [4-(4-methoxycarbonylphenyl)phenyl]boronic acid |
Description: | 4'-(Methoxycarbonyl)biphenyl-4-boronic Acid (CAS# 501944-43-0) is a useful research chemical. |
Molecular Weight: | 256.06 |
Molecular Formula: | C14H13O4B |
Canonical SMILES: | B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC)(O)O |
InChI: | InChI=1S/C14H13BO4/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(17)18/h2-9,17-18H,1H3 |
InChI Key: | OBHWJBMJYPCGPE-UHFFFAOYSA-N |
Boiling Point: | 451 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 0.82000 |
Publication Number | Title | Priority Date |
CA-2459882-A1 | Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors | 20010907 |
CN-1582287-A | Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors | 20010907 |
EP-1423386-A1 | Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors | 20010907 |
JP-2005502706-A | Thiophenylthiopyran dioxide as an MMP or TNF-alpha inhibitor | 20010907 |
US-2004266826-A1 | Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors | 20010907 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0906891 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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