1-(4-Bromophenyl)cyclobutanecarbonitrile - CAS 485828-58-8
Catalog: |
BB026556 |
Product Name: |
1-(4-Bromophenyl)cyclobutanecarbonitrile |
CAS: |
485828-58-8 |
Synonyms: |
1-(4-bromophenyl)-1-cyclobutanecarbonitrile; 1-(4-bromophenyl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(4-bromophenyl)cyclobutane-1-carbonitrile |
Description: | 1-(4-Bromophenyl)cyclobutanecarbonitrile (CAS# 485828-58-8 ) is a useful research chemical. |
Molecular Weight: | 236.11 |
Molecular Formula: | C11H10BrN |
Canonical SMILES: | C1CC(C1)(C#N)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C11H10BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2 |
InChI Key: | DZWFVACFASLQKS-UHFFFAOYSA-N |
Boiling Point: | 336.236 °C at 760 mmHg |
Density: | 1.469 g/cm3 |
MDL: | MFCD10688823 |
LogP: | 3.39438 |
Publication Number | Title | Priority Date |
US-2020087331-A1 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
CN-110997653-A | Aryl heterocyclic piperidone formyl peptide 2 receptor and formyl peptide 1 receptor agonists | 20170609 |
EP-3634956-A1 | Aryl heterocyclic piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists | 20170609 |
KR-20200014895-A | Aryl Heterocyclic Piperidinone Formyl Peptide 2 Receptor and Formyl Peptide 1 Receptor Agonists | 20170609 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.99966 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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