Home Other Building Blocks 1-(3-Chloro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone

1-(3-Chloro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone

CAS No.:
1125812-58-9
Catalog Number:
AG00922Q
Molecular Formula:
C9H3ClF6O
Molecular Weight:
276.5629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$228
- +
1g
95%
1 week
United States
$513
- +
Product Description
Catalog Number:
AG00922Q
Chemical Name:
1-(3-Chloro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone
CAS Number:
1125812-58-9
Molecular Formula:
C9H3ClF6O
Molecular Weight:
276.5629
MDL Number:
MFCD19440960
IUPAC Name:
1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H3ClF6O/c10-6-2-4(7(17)9(14,15)16)1-5(3-6)8(11,12)13/h1-3H
InChI Key:
KPHAJQJWTSUTQU-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(F)(F)F)C(=O)C(F)(F)F
EC Number:
808-269-3
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.978g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.562g/mol
Monoisotopic Mass:
275.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties