2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one - CAS 95727-89-2
Catalog: |
BB069328 |
Product Name: |
2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one |
CAS: |
95727-89-2 |
Synonyms: |
2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one; 2-CHLORO-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANONE; 2-chloro-4'-(trifluoromethyl)acetophenone; alpha-Chloro-4'-(trifluoromethyl)acetophenone |
IUPAC Name: | 2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone |
Description: | 2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one (cas# 95727-89-2) is a useful research chemical. |
Molecular Weight: | 222.59 |
Molecular Formula: | C9H6OF3Cl |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCl)C(F)(F)F |
InChI: | InChI=1S/C9H6ClF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2 |
InChI Key: | VBXNXBARORLRRI-UHFFFAOYSA-N |
Melting Point: | 43 - 45°C |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Sparingly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.005927 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.005927 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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