2-Chloro-1-(2-pyrrolyl)ethanone - CAS 53391-62-1
Catalog: |
BB028189 |
Product Name: |
2-Chloro-1-(2-pyrrolyl)ethanone |
CAS: |
53391-62-1 |
Synonyms: |
2-chloro-1-(1H-pyrrol-2-yl)ethanone; 2-chloro-1-(1H-pyrrol-2-yl)ethanone |
IUPAC Name: | 2-chloro-1-(1H-pyrrol-2-yl)ethanone |
Description: | 2-Chloro-1-(2-pyrrolyl)ethanone (CAS# 53391-62-1) is a useful research chemical. |
Molecular Weight: | 143.57 |
Molecular Formula: | C6H6ClNO |
Canonical SMILES: | C1=CNC(=C1)C(=O)CCl |
InChI: | InChI=1S/C6H6ClNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2 |
InChI Key: | QWNLFQDHVIUYBL-UHFFFAOYSA-N |
Boiling Point: | 274.9 ℃ at 760 mmHg |
Density: | 1.297 g/cm3 |
LogP: | 1.43620 |
Publication Number | Title | Priority Date |
EP-2958897-A2 | Compounds useful as modulators of trpm8 | 20130219 |
EP-2958897-B1 | Compounds useful as modulators of trpm8 | 20130219 |
EP-3461816-A1 | Five-membered heterocylic compounds useful as modulators of trpm8 | 20130219 |
ES-2717941-T3 | Compounds useful as modulators of TRPM8 | 20130219 |
US-10421727-B2 | Compounds useful as modulators of TRPM8 | 20130219 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.0137915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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