2-(1-Pyrrolidinylsulphonyl)benzeneboronic Acid - CAS 913835-83-3
Catalog: |
BB040149 |
Product Name: |
2-(1-Pyrrolidinylsulphonyl)benzeneboronic Acid |
CAS: |
913835-83-3 |
Synonyms: |
[2-(1-pyrrolidinylsulfonyl)phenyl]boronic acid; (2-pyrrolidin-1-ylsulfonylphenyl)boronic acid |
IUPAC Name: | (2-pyrrolidin-1-ylsulfonylphenyl)boronic acid |
Description: | 2-(1-Pyrrolidinylsulphonyl)benzeneboronic Acid (CAS# 913835-83-3) is a useful research chemical. |
Molecular Weight: | 255.10 |
Molecular Formula: | C10H14NO4SB |
Canonical SMILES: | B(C1=CC=CC=C1S(=O)(=O)N2CCCC2)(O)O |
InChI: | InChI=1S/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2 |
InChI Key: | ONRDSHCJDLWHKN-UHFFFAOYSA-N |
Boiling Point: | 479.9 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
Appearance: | White solid |
MDL: | MFCD08689515 |
LogP: | 0.16960 |
Publication Number | Title | Priority Date |
EP-2951170-A2 | Flap modulators | 20130204 |
EP-2951170-B1 | Flap modulators | 20130204 |
EP-3070085-A1 | Flap modulators | 20130204 |
EP-3070085-B1 | Flap modulators | 20130204 |
EP-3495359-A1 | Flap modulators | 20130204 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0736593 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0736593 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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