4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid - CAS 850568-77-3
Catalog: |
BB037441 |
Product Name: |
4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid |
CAS: |
850568-77-3 |
Synonyms: |
[4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid; [4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid |
IUPAC Name: | [4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid |
Description: | 4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid (CAS# 850568-77-3) is a useful research chemical. |
Molecular Weight: | 245.06 |
Molecular Formula: | C8H12NO5SB |
Canonical SMILES: | B(C1=CC=C(C=C1)S(=O)(=O)NCCO)(O)O |
InChI: | InChI=1S/C8H12BNO5S/c11-6-5-10-16(14,15)8-3-1-7(2-4-8)9(12)13/h1-4,10-13H,5-6H2 |
InChI Key: | OQYVRTONAFVNJR-UHFFFAOYSA-N |
Boiling Point: | 500.2 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
LogP: | -0.89130 |
Publication Number | Title | Priority Date |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
AU-2016347456-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
AU-2016347456-B2 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-B1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0529238 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0529238 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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