(1-cyanocyclopropyl)methanesulfonyl chloride - CAS 1461707-09-4
Catalog: |
BB054803 |
Product Name: |
(1-cyanocyclopropyl)methanesulfonyl chloride |
CAS: |
1461707-09-4 |
Synonyms: |
(1-cyanocyclopropyl)methanesulfonylchloride |
IUPAC Name: | (1-cyanocyclopropyl)methanesulfonyl chloride |
Molecular Weight: | 179.63 |
Molecular Formula: | C5H6ClNO2S |
Canonical SMILES: | C1CC1(CS(=O)(=O)Cl)C#N |
InChI: | InChI=1S/C5H6ClNO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-2,4H2 |
InChI Key: | YCQUANRKFHCAHH-UHFFFAOYSA-N |
Boiling Point: | 332.1±15.0 °C at 760 mmHg |
Density: | 1.51±0.1 g/cm3 |
Appearance: | Solid Powder |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.9807773 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.9807773 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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