4-(tert-Butoxy)benzonitrile - CAS 185259-36-3
Catalog: |
BB014212 |
Product Name: |
4-(tert-Butoxy)benzonitrile |
CAS: |
185259-36-3 |
Synonyms: |
4-[(2-methylpropan-2-yl)oxy]benzonitrile; 4-[(2-methylpropan-2-yl)oxy]benzonitrile |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxy]benzonitrile |
Description: | 4-(tert-Butoxy)benzonitrile (CAS# 185259-36-3) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C11H13NO |
Canonical SMILES: | CC(C)(C)OC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C11H13NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3 |
InChI Key: | WLWYCCYGVDZFMS-UHFFFAOYSA-N |
Boiling Point: | 281.7 °C at 760 mmHg |
Density: | 1.01 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD03425273 |
LogP: | 2.73558 |
Publication Number | Title | Priority Date |
US-2020407375-A1 | Protective groups and methods for protecting benzoxaboroles or oxaboroles | 20180309 |
US-2019210984-A1 | Compounds for the treatment of clostridium difficile infection | 20160912 |
WO-2018049404-A1 | Compounds for the treatment of clostridium difficile infection | 20160912 |
US-2018360905-A1 | Inhibitors for proliferating cell nuclear antigen and uses | 20151207 |
WO-2017100154-A1 | Inhibitors for proliferating cell nuclear antigen and uses | 20151207 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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