2-Methyl-5-nitrophenylboronic Acid Pinacol Ester - CAS 957062-84-9
Catalog: |
BB041816 |
Product Name: |
2-Methyl-5-nitrophenylboronic Acid Pinacol Ester |
CAS: |
957062-84-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane |
Description: | 2-Methyl-5-nitrophenylboronic Acid Pinacol Ester (CAS# 957062-84-9) is a useful research chemical. |
Molecular Weight: | 263.10 |
Molecular Formula: | C13H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])C |
InChI: | InChI=1S/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3 |
InChI Key: | LYFUUPOOXAXEEP-UHFFFAOYSA-N |
Boiling Point: | 378.9 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
Appearance: | Solid |
LogP: | 2.72560 |
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 |
CN-107074828-B | Compounds and compositions as RAF kinase inhibitors | 20140912 |
EP-3191467-A1 | Compounds and compositions as kinase inhibitors | 20140912 |
EP-3191478-B1 | Compounds and compositions as raf kinase inhibitors | 20140912 |
JP-2017526720-A | Compounds and compositions as kinase inhibitors | 20140912 |
JP-2017527585-A | Compounds and compositions as RAF kinase inhibitors | 20140912 |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.1328882 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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