2-(N,N-Dimethylsulphamoyl)benzeneboronic Acid - CAS 178432-25-2
Catalog: |
BB013464 |
Product Name: |
2-(N,N-Dimethylsulphamoyl)benzeneboronic Acid |
CAS: |
178432-25-2 |
Synonyms: |
[2-(dimethylsulfamoyl)phenyl]boronic acid; [2-(dimethylsulfamoyl)phenyl]boronic acid |
IUPAC Name: | [2-(dimethylsulfamoyl)phenyl]boronic acid |
Description: | 2-(N,N-Dimethylsulphamoyl)benzeneboronic Acid (CAS# 178432-25-2) is a useful research chemical. |
Molecular Weight: | 229.06 |
Molecular Formula: | C8H12NO4SB |
Canonical SMILES: | B(C1=CC=CC=C1S(=O)(=O)N(C)C)(O)O |
InChI: | InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3 |
InChI Key: | GCHDOHKUPJUTCB-UHFFFAOYSA-N |
Boiling Point: | 428.5 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD04039023 |
LogP: | -0.30250 |
Publication Number | Title | Priority Date |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
KR-20150126901-A | Antiviral compounds | 20130306 |
EP-2951170-A2 | Flap modulators | 20130204 |
EP-2951170-B1 | Flap modulators | 20130204 |
EP-3070085-A1 | Flap modulators | 20130204 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0580092 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0580092 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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