2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester - CAS 380430-60-4
Catalog: |
BB023512 |
Product Name: |
2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester |
CAS: |
380430-60-4 |
Synonyms: |
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide; N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
IUPAC Name: | N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
Description: | 2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester (CAS# 380430-60-4) is a useful research chemical. |
Molecular Weight: | 297.18 |
Molecular Formula: | C13H20NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C |
InChI: | InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3 |
InChI Key: | ADAOINPTCZWNBZ-UHFFFAOYSA-N |
Boiling Point: | 417.2 °C at 760 mmHg |
Melting Point: | 130-134 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.19 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02179479 |
LogP: | 2.51110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2951170-B1 | Flap modulators | 20130204 |
EP-3070085-A1 | Flap modulators | 20130204 |
EP-3070085-B1 | Flap modulators | 20130204 |
EP-3495359-A1 | Flap modulators | 20130204 |
ES-2706399-T3 | Modulators of FLAP | 20130204 |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.1206095 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.1206095 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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