1-(2-Bromo-4-fluorophenyl)cyclobutanecarbonitrile - CAS 1086599-29-2
Catalog: |
BB002310 |
Product Name: |
1-(2-Bromo-4-fluorophenyl)cyclobutanecarbonitrile |
CAS: |
1086599-29-2 |
Synonyms: |
1-(2-bromo-4-fluorophenyl)-1-cyclobutanecarbonitrile; 1-(2-bromo-4-fluorophenyl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(2-bromo-4-fluorophenyl)cyclobutane-1-carbonitrile |
Description: | 1-(2-Bromo-4-fluorophenyl)cyclobutanecarbonitrile (CAS# 1086599-29-2 ) is a useful research chemical. |
Molecular Weight: | 254.10 |
Molecular Formula: | C11H9BrFN |
Canonical SMILES: | C1CC(C1)(C#N)C2=C(C=C(C=C2)F)Br |
InChI: | InChI=1S/C11H9BrFN/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2 |
InChI Key: | HAWFEVDKYTXNSS-UHFFFAOYSA-N |
LogP: | 3.53348 |
Publication Number | Title | Priority Date |
AU-2008254319-A1 | Triazolyl aminopyrimidine compounds | 20070516 |
AU-2008254319-B2 | Triazolyl aminopyrimidine compounds | 20070516 |
CA-2691997-A1 | Triazolyl aminopyrimidine compounds | 20070516 |
EP-2155734-A2 | Triazolyl aminopyrimidine compounds | 20070516 |
JP-2010527365-A | Triazolylaminopyrimidine compound | 20070516 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.99024 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.99024 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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