1-[3-(Methylsulfonyl)phenyl]cyclopentanecarbonitrile - CAS 2120495-01-2
Catalog: |
BB016686 |
Product Name: |
1-[3-(Methylsulfonyl)phenyl]cyclopentanecarbonitrile |
CAS: |
2120495-01-2 |
Synonyms: |
1-(3-methylsulfonylphenyl)-1-cyclopentanecarbonitrile; 1-(3-methylsulfonylphenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(3-methylsulfonylphenyl)cyclopentane-1-carbonitrile |
Description: | 1-[3-(Methylsulfonyl)phenyl]cyclopentanecarbonitrile (CAS# 2120495-01-2 ) is a useful research chemical. |
Molecular Weight: | 249.33 |
Molecular Formula: | C13H15NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)C2(CCCC2)C#N |
InChI: | InChI=1S/C13H15NO2S/c1-17(15,16)12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
InChI Key: | RLODBMHNKOYBCS-UHFFFAOYSA-N |
Complexity: | 420 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.08234989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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