2-Chloro-4-cyanophenylboronic Acid Pinacol Ester - CAS 945391-06-0
Catalog: |
BB041411 |
Product Name: |
2-Chloro-4-cyanophenylboronic Acid Pinacol Ester |
CAS: |
945391-06-0 |
Synonyms: |
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 2-Chloro-4-cyanophenylboronic Acid Pinacol Ester (CAS# 945391-06-0) is a useful research chemical. |
Molecular Weight: | 263.53 |
Molecular Formula: | C13H15ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)Cl |
InChI: | InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7H,1-4H3 |
InChI Key: | AGVDMZNQFRCYMD-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 2.51088 |
Publication Number | Title | Priority Date |
EP-2809655-A1 | Benziimidazole and imidazopyridine derivatives as sodium channel modulators | 20120203 |
EP-2809655-B1 | Benziimidazole and imidazopyridine derivatives as sodium channel modulators | 20120203 |
ES-2548228-T3 | Benzimidazole and imidazopyridine derivatives as sodium channel modulators | 20120203 |
JP-2015509110-A | Benzimidazole and imidazopyridine derivatives as sodium channel modulators | 20120203 |
JP-6002785-B2 | Benzimidazole and imidazopyridine derivatives as sodium channel modulators | 20120203 |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.0884366 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.0884366 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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