3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 850689-27-9
Catalog: |
BB037455 |
Product Name: |
3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
850689-27-9 |
Synonyms: |
3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 850689-27-9) is a useful research chemical. |
Molecular Weight: | 277.12 |
Molecular Formula: | C14H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N)C(=O)OC |
InChI: | InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,16H2,1-5H3 |
InChI Key: | LXWQXFHXYBUCJX-UHFFFAOYSA-N |
Boiling Point: | 432 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
MDL: | MFCD09258776 |
LogP: | 1.93580 |
Publication Number | Title | Priority Date |
CN-111868036-A | Heterocyclic ring P2Y14Receptor antagonists | 20180209 |
US-2021047293-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
US-2010022601-A1 | Sulfonamide compounds and the use | 20080605 |
US-8039514-B2 | Sulfonamide compounds and use thereof | 20080605 |
CN-101528716-B | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | 20060821 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1485383 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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