Home Other Building Blocks 3-[2-(trifluoromethyl)phenyl]butan-2-one

3-[2-(trifluoromethyl)phenyl]butan-2-one

CAS No.:
21906-06-9
Catalog Number:
AG01A3S6
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
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Product Description
Catalog Number:
AG01A3S6
Chemical Name:
3-[2-(trifluoromethyl)phenyl]butan-2-one
CAS Number:
21906-06-9
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD18287965
IUPAC Name:
3-[2-(trifluoromethyl)phenyl]butan-2-one
InChI:
InChI=1S/C11H11F3O/c1-7(8(2)15)9-5-3-4-6-10(9)11(12,13)14/h3-7H,1-2H3
InChI Key:
MZQVZEZHIUGXRH-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccccc1C(F)(F)F)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties