Home Other Building Blocks 4-(Trifluoroacetyl)toluene

4-(Trifluoroacetyl)toluene

CAS No.:
394-59-2
Catalog Number:
AG0033TZ
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$50
- +
25g
96%
In Stock USA
United States
$207
- +
100g
96%
In Stock USA
United States
$613
- +
Product Description
Catalog Number:
AG0033TZ
Chemical Name:
4-(Trifluoroacetyl)toluene
CAS Number:
394-59-2
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD00052338
IUPAC Name:
2,2,2-trifluoro-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
InChI Key:
DYILUJUELMWXAL-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)C
NSC Number:
142255
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties