3-Carboxy-5-nitrophenylboronic Acid Pinacol Ester - CAS 377780-80-8
Catalog: |
BB023415 |
Product Name: |
3-Carboxy-5-nitrophenylboronic Acid Pinacol Ester |
CAS: |
377780-80-8 |
Synonyms: |
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
IUPAC Name: | 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
Description: | 3-Carboxy-5-nitrophenylboronic Acid Pinacol Ester (CAS# 377780-80-8) is a useful research chemical. |
Molecular Weight: | 293.08 |
Molecular Formula: | C13H16NO6B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17) |
InChI Key: | OYMDMSRXMZRHPB-UHFFFAOYSA-N |
Boiling Point: | 451.3 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD03411932 |
LogP: | 2.11540 |
Publication Number | Title | Priority Date |
WO-2020047418-A1 | Cyanine-based telodendrimers and uses for treating cancer | 20180831 |
EP-3844208-A1 | Cyanine-based telodendrimers and uses for treating cancer | 20180831 |
US-10174172-B2 | Joined body joined by chemical bonding at material interface, and joining method for joined body | 20130827 |
US-2016272768-A1 | Joined body joined by chemical bonding at material interface, and joining method for joined body | 20130827 |
EP-2707419-A2 | Reversibly crosslinked micelle systems | 20110513 |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.1070673999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.1070673999999 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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