2-Amino-4-cyanophenylboronic Acid Pinacol Ester - CAS 1384855-68-8
Catalog: |
BB008764 |
Product Name: |
2-Amino-4-cyanophenylboronic Acid Pinacol Ester |
CAS: |
1384855-68-8 |
Synonyms: |
3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 2-Amino-4-cyanophenylboronic Acid Pinacol Ester (CAS# 1384855-68-8 ) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)N |
InChI: | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)7-11(10)16/h5-7H,16H2,1-4H3 |
InChI Key: | TZIDVPJAFFCQAI-UHFFFAOYSA-N |
LogP: | 2.02088 |
Publication Number | Title | Priority Date |
WO-2020225569-A1 | Phenyl-sulfamoyl.benzoyc acids as erap1 modulators | 20190509 |
JP-2017149693-A | Fused pyrimidinone derivatives with autotaxin inhibitory activity | 20160226 |
AU-2012204651-A1 | Novel bicyclic compound or salt thereof | 20110107 |
CA-2824013-A1 | Novel bicyclic compound or salt thereof | 20110107 |
EP-2662357-A1 | Novel bicyclic compound or salt thereof | 20110107 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.138308 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.138308 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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