Home Other Building Blocks 3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one

3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one

CAS No.:
1247829-73-7
Catalog Number:
AG01B6AX
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
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Product Description
Catalog Number:
AG01B6AX
Chemical Name:
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CAS Number:
1247829-73-7
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
MDL Number:
MFCD16807726
IUPAC Name:
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
InChI:
InChI=1S/C12H13F3O/c1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3
InChI Key:
PKOXGFAFXRDHRX-UHFFFAOYSA-N
SMILES:
CC(C(=O)Cc1ccc(cc1)C(F)(F)F)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties