1-(3,4-Dichlorophenyl)cyclopentanecarbonitrile - CAS 213755-91-0
Catalog: |
BB016797 |
Product Name: |
1-(3,4-Dichlorophenyl)cyclopentanecarbonitrile |
CAS: |
213755-91-0 |
Synonyms: |
1-(3,4-dichlorophenyl)-1-cyclopentanecarbonitrile; 1-(3,4-dichlorophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(3,4-dichlorophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(3,4-Dichlorophenyl)cyclopentanecarbonitrile (CAS# 213755-91-0 ) is a useful research chemical. |
Molecular Weight: | 240.13 |
Molecular Formula: | C12H11Cl2N |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C12H11Cl2N/c13-10-4-3-9(7-11(10)14)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
InChI Key: | LIPSDVBHSHEGGB-UHFFFAOYSA-N |
LogP: | 4.32878 |
Publication Number | Title | Priority Date |
US-2015057443-A1 | Cycloalkyl Amine Compounds | 20130821 |
WO-2015027058-A2 | Cyclolkyl amine compounds | 20130821 |
AU-2014204889-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
CA-2894642-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
CN-104918942-A | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0268547 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0268547 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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