3-(N,N-Dimethylsulfamoyl)phenylboronic Acid - CAS 871329-59-8
Catalog: |
BB038286 |
Product Name: |
3-(N,N-Dimethylsulfamoyl)phenylboronic Acid |
CAS: |
871329-59-8 |
Synonyms: |
[3-(dimethylsulfamoyl)phenyl]boronic acid; [3-(dimethylsulfamoyl)phenyl]boronic acid |
IUPAC Name: | [3-(dimethylsulfamoyl)phenyl]boronic acid |
Description: | 3-(N,N-Dimethylsulfamoyl)phenylboronic Acid (CAS# 871329-59-8) is a useful research chemical. |
Molecular Weight: | 229.06 |
Molecular Formula: | C8H12NO4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)N(C)C)(O)O |
InChI: | InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3 |
InChI Key: | SGERXKCDWJPIOS-UHFFFAOYSA-N |
Boiling Point: | 435.6 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07363747 |
LogP: | -0.30250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
WO-2020242245-A1 | Phthalazinone compounds and use thereof | 20190529 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
WO-2019173761-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 20180309 |
US-2021101872-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 20180309 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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