2-Methoxy-5-nitrophenylboronic Acid Pinacol Ester - CAS 677746-34-8
Catalog: |
BB033395 |
Product Name: |
2-Methoxy-5-nitrophenylboronic Acid Pinacol Ester |
CAS: |
677746-34-8 |
Synonyms: |
2-(2-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-Methoxy-5-nitrophenylboronic Acid Pinacol Ester (CAS# 677746-34-8) is a useful research chemical. |
Molecular Weight: | 279.10 |
Molecular Formula: | C13H18NO5B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])OC |
InChI: | InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)10-8-9(15(16)17)6-7-11(10)18-5/h6-8H,1-5H3 |
InChI Key: | DLBHUTKTPNNASR-UHFFFAOYSA-N |
LogP: | 2.42580 |
Publication Number | Title | Priority Date |
JP-2020504715-A | Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of using the same | 20161219 |
KR-20190092542-A | Amine-Substituted Heterocyclic Compounds as EHMT2 Inhibitors and Methods of Use thereof | 20161219 |
US-2020039998-A1 | Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof | 20161219 |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.1278028 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.1278028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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