3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid - CAS 221290-14-8
Catalog: |
BB017409 |
Product Name: |
3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid |
CAS: |
221290-14-8 |
Synonyms: |
[3-(tert-butylsulfamoyl)phenyl]boronic acid; [3-(tert-butylsulfamoyl)phenyl]boronic acid |
IUPAC Name: | [3-(tert-butylsulfamoyl)phenyl]boronic acid |
Description: | 3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid (CAS# 221290-14-8) is a useful research chemical. |
Molecular Weight: | 257.11 |
Molecular Formula: | C10H16NO4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C)(O)O |
InChI: | InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-5-8(7-9)11(13)14/h4-7,12-14H,1-3H3 |
InChI Key: | LSSASZPAKWQFHO-UHFFFAOYSA-N |
Boiling Point: | 449.3 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | 0.91490 |
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-2014157382-A1 | Sphingosine kinase inhibitor | 20130329 |
EP-2964635-A1 | Antiviral compounds | 20130306 |
EP-2964635-B1 | Antiviral compounds | 20130306 |
JP-2016510053-A | Antiviral compounds | 20130306 |
JP-6163214-B2 | Antiviral compounds | 20130306 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0893093 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0893093 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 95 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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