5-(Benzyloxy)-2-fluoroaniline - CAS 342042-82-4
Catalog: |
BB022006 |
Product Name: |
5-(Benzyloxy)-2-fluoroaniline |
CAS: |
342042-82-4 |
Synonyms: |
2-fluoro-5-phenylmethoxyaniline; 2-fluoro-5-phenylmethoxyaniline |
IUPAC Name: | 2-fluoro-5-phenylmethoxyaniline |
Description: | 5-(Benzyloxy)-2-fluoroaniline (CAS# 342042-82-4) is a useful research chemical. |
Molecular Weight: | 217.24 |
Molecular Formula: | C13H12FNO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=C(C=C2)F)N |
InChI: | InChI=1S/C13H12FNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
InChI Key: | QWJMNTICFWQYMN-UHFFFAOYSA-N |
Boiling Point: | 364 °C at 760 mmHg |
Density: | 1.202 g/cm3 |
LogP: | 3.56810 |
Publication Number | Title | Priority Date |
AU-2016336437-A1 | Compounds, compositions, and methods for modulating CFTR | 20151006 |
AU-2016336437-B2 | Compounds, compositions, and methods for modulating CFTR | 20151006 |
CA-3000483-A1 | Compounds, compositions, and methods for modulating cftr | 20151006 |
EP-3359536-A1 | Compounds, compositions, and methods for modulating cftr | 20151006 |
JP-2018537413-A | Compounds, compositions and methods for modulating CFTR | 20151006 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.090292168 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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