Home Other Building Blocks 1-(4-Chloro-2-methylphenyl)-2,2,2-trifluoroethanone

1-(4-Chloro-2-methylphenyl)-2,2,2-trifluoroethanone

CAS No.:
845823-13-4
Catalog Number:
AG004R05
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$106
- +
1g
97%
1 week
United States
$175
- +
5g
97%
1 week
United States
$450
- +
25g
97%
1 week
United States
$1837
- +
Product Description
Catalog Number:
AG004R05
Chemical Name:
1-(4-Chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CAS Number:
845823-13-4
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD06201807
IUPAC Name:
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H6ClF3O/c1-5-4-6(10)2-3-7(5)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
SJBSFYVEKYGCAS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.591g/mol
Monoisotopic Mass:
222.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties