2-(Cyclobutylmethoxy)-6-fluorobenzonitrile - CAS 872180-52-4
Catalog: |
BB038337 |
Product Name: |
2-(Cyclobutylmethoxy)-6-fluorobenzonitrile |
CAS: |
872180-52-4 |
Synonyms: |
2-(cyclobutylmethoxy)-6-fluorobenzonitrile; 2-(cyclobutylmethoxy)-6-fluorobenzonitrile |
IUPAC Name: | 2-(cyclobutylmethoxy)-6-fluorobenzonitrile |
Description: | 2-(Cyclobutylmethoxy)-6-fluorobenzonitrile (CAS# 872180-52-4 ) is a useful research chemical. |
Molecular Weight: | 205.23 |
Molecular Formula: | C12H12FNO |
Canonical SMILES: | C1CC(C1)COC2=C(C(=CC=C2)F)C#N |
InChI: | InChI=1S/C12H12FNO/c13-11-5-2-6-12(10(11)7-14)15-8-9-3-1-4-9/h2,5-6,9H,1,3-4,8H2 |
InChI Key: | FFMJZDMYYSVQHP-UHFFFAOYSA-N |
LogP: | 2.87628 |
Publication Number | Title | Priority Date |
AU-2005254945-A1 | 2,4-Diaminoquinazolines for spinal muscular atrophy | 20040608 |
AU-2005254945-B2 | 2,4-Diaminoquinazolines for spinal muscular atrophy | 20040608 |
AU-2005254945-C1 | 2,4-Diaminoquinazolines for spinal muscular atrophy | 20040608 |
CA-2569763-C | 2,4-diaminoquinazolines for spinal muscular atrophy | 20040608 |
EP-1765810-A1 | 2,4-diaminoquinazolines for spinal muscular atrophy | 20040608 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.090292168 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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