Home Other Building Blocks 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione

1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione

CAS No.:
18931-60-7
Catalog Number:
AG002I9C
Molecular Formula:
C10H6ClF3O2
Molecular Weight:
250.6016
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$66
- +
5g
97%
1 week
United States
$121
- +
25g
97%
1 week
United States
$288
- +
100g
97%
1 week
United States
$788
- +
500g
97%
1 week
United States
$2670
- +
Product Description
Catalog Number:
AG002I9C
Chemical Name:
1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione
CAS Number:
18931-60-7
Molecular Formula:
C10H6ClF3O2
Molecular Weight:
250.6016
MDL Number:
MFCD00511276
IUPAC Name:
1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChI Key:
LJHFYVKVIIMXQM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CC(=O)C(F)(F)F
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.601g/mol
Monoisotopic Mass:
250.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties