1-(4-Nitrophenyl)cyclopentanecarbonitrile - CAS 91392-33-5
Catalog: |
BB040162 |
Product Name: |
1-(4-Nitrophenyl)cyclopentanecarbonitrile |
CAS: |
91392-33-5 |
Synonyms: |
1-(4-nitrophenyl)-1-cyclopentanecarbonitrile; 1-(4-nitrophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(4-nitrophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(4-Nitrophenyl)cyclopentanecarbonitrile (CAS# 91392-33-5) is a building block used in various chemical synthesis. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H12N2O2/c13-9-12(7-1-2-8-12)10-3-5-11(6-4-10)14(15)16/h3-6H,1-2,7-8H2 |
InChI Key: | ANLABNUUYWRCRP-UHFFFAOYSA-N |
Boiling Point: | 392.8 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
LogP: | 3.45338 |
Publication Number | Title | Priority Date |
CN-112441941-A | Preparation method of 1- (4-aminophenyl) cyclopentyl formonitrile | 20201203 |
CN-111763156-A | Preparation method of apatinib intermediate | 20200714 |
US-2020087331-A1 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
US-2016090354-A1 | Solid drug form of n-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride and compositions, methods and kits related thereto | 20140926 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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