3-Chloro-1-(2-fluorophenyl)-1-propanone - CAS 898767-04-9
Catalog: |
BB039658 |
Product Name: |
3-Chloro-1-(2-fluorophenyl)-1-propanone |
CAS: |
898767-04-9 |
Synonyms: |
3-chloro-1-(2-fluorophenyl)-1-propanone; 3-chloro-1-(2-fluorophenyl)propan-1-one |
IUPAC Name: | 3-chloro-1-(2-fluorophenyl)propan-1-one |
Description: | 3-Chloro-1-(2-fluorophenyl)-1-propanone (CAS# 898767-04-9 ) is a useful research chemical. |
Molecular Weight: | 186.61 |
Molecular Formula: | C9H8ClFO |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)CCCl)F |
InChI: | InChI=1S/C9H8ClFO/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
InChI Key: | WCNSDVGUYXGZDE-UHFFFAOYSA-N |
Boiling Point: | 265 °C at 760 mmHg |
Density: | 1.219 g/cm3 |
MDL: | MFCD07699515 |
LogP: | 2.63730 |
Publication Number | Title | Priority Date |
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Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0247707 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0247707 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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