5-Acetamido-2-chlorophenylboronic Acid Pinacol Ester - CAS 1218789-92-4
Catalog: |
BB005277 |
Product Name: |
5-Acetamido-2-chlorophenylboronic Acid Pinacol Ester |
CAS: |
1218789-92-4 |
Synonyms: |
N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide; N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
IUPAC Name: | N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
Description: | 5-Acetamido-2-chlorophenylboronic Acid Pinacol Ester (CAS# 1218789-92-4) is a useful research chemical. |
Molecular Weight: | 295.57 |
Molecular Formula: | C14H19ClNO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)NC(=O)C)Cl |
InChI: | InChI=1S/C14H19BClNO3/c1-9(18)17-10-6-7-12(16)11(8-10)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18) |
InChI Key: | APAJKMVUMKDEIC-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD15143594 |
LogP: | 2.67060 |
Publication Number | Title | Priority Date |
EP-3049394-A1 | Substituted phenylalanine derivatives as modulators of factor xia | 20130926 |
US-2016244437-A1 | Substituted phenylalanine derivatives | 20130926 |
WO-2015044167-A1 | Substituted phenylalanine derivatives as modulators of factor xia | 20130926 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1146513 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1146513 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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