3-[(Ethanesulfonyl)methyl]benzonitrile - CAS 1267212-27-0
Catalog: |
BB065744 |
Product Name: |
3-[(Ethanesulfonyl)methyl]benzonitrile |
CAS: |
1267212-27-0 |
Synonyms: |
3-[(Ethanesulfonyl)methyl]benzonitrile; 3-(ethylsulfonylmethyl)benzonitrile |
IUPAC Name: | 3-(ethylsulfonylmethyl)benzonitrile |
Description: | 3-[(Ethanesulfonyl)methyl]benzonitrile |
Molecular Weight: | 209.26 |
Molecular Formula: | C10H11NO2S |
Canonical SMILES: | CCS(=O)(=O)CC1=CC(=CC=C1)C#N |
InChI: | InChI=1S/C10H11NO2S/c1-2-14(12,13)8-10-5-3-4-9(6-10)7-11/h3-6H,2,8H2,1H3 |
InChI Key: | VAOSJHQNSGVYRK-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.05104977 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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