2-Bromo-1-isopropoxy-4-methylbenzene - CAS 13178-89-7
Catalog: |
BB007495 |
Product Name: |
2-Bromo-1-isopropoxy-4-methylbenzene |
CAS: |
13178-89-7 |
Synonyms: |
2-bromo-4-methyl-1-propan-2-yloxybenzene; 2-bromo-4-methyl-1-propan-2-yloxybenzene |
IUPAC Name: | 2-bromo-4-methyl-1-propan-2-yloxybenzene |
Description: | 2-Bromo-1-isopropoxy-4-methylbenzene (CAS# 13178-89-7) is a useful research chemical. |
Molecular Weight: | 229.11 |
Molecular Formula: | C10H13BrO |
Canonical SMILES: | CC1=CC(=C(C=C1)OC(C)C)Br |
InChI: | InChI=1S/C10H13BrO/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7H,1-3H3 |
InChI Key: | FRGAXULEAYPJQM-UHFFFAOYSA-N |
LogP: | 3.54470 |
Publication Number | Title | Priority Date |
AU-2018332512-A1 | Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use | 20170914 |
CA-3074945-A1 | Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use | 20170914 |
US-2019077784-A1 | Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use | 20170914 |
WO-2019053634-A1 | MODULATORS OF THE TRANSMEMBRANE CONDUCTANCE REGULATORY PROTEIN OF CYSTIC FIBROSIS AND METHODS OF USE | 20170914 |
BR-112020005102-A2 | modulators of the cystic fibrosis transmembrane conductance regulatory protein and methods of use | 20170914 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.01498 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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