4-(Morpholinosulfonyl)phenylboronic Acid - CAS 486422-68-8
Catalog: |
BB026572 |
Product Name: |
4-(Morpholinosulfonyl)phenylboronic Acid |
CAS: |
486422-68-8 |
Synonyms: |
[4-(4-morpholinylsulfonyl)phenyl]boronic acid; (4-morpholin-4-ylsulfonylphenyl)boronic acid |
IUPAC Name: | (4-morpholin-4-ylsulfonylphenyl)boronic acid |
Description: | 4-(Morpholinosulfonyl)phenylboronic Acid (CAS# 486422-68-8) is a useful research chemical compound. |
Molecular Weight: | 271.10 |
Molecular Formula: | C10H14NO5SB |
Canonical SMILES: | B(C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)(O)O |
InChI: | InChI=1S/C10H14BNO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4,13-14H,5-8H2 |
InChI Key: | BRRALDPVXKGEEE-UHFFFAOYSA-N |
Boiling Point: | 494.9 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
Appearance: | Solid |
LogP: | -0.59400 |
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 |
AU-2018318692-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
EP-3668502-A1 | Macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
WO-2019035927-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | 20170815 |
BR-112020003200-A2 | macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
JP-2020531457-A | Macrocyclic MCL-1 inhibitor and method of use | 20170815 |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0685739 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0685739 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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