Home Other Building Blocks 2',3'-Difluoro-4'-(trifluoromethyl)acetophenone

2',3'-Difluoro-4'-(trifluoromethyl)acetophenone

CAS No.:
237761-82-9
Catalog Number:
AG00BFJP
Molecular Formula:
C9H5F5O
Molecular Weight:
224.1274
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Product Description
Catalog Number:
AG00BFJP
Chemical Name:
2',3'-Difluoro-4'-(trifluoromethyl)acetophenone
CAS Number:
237761-82-9
Molecular Formula:
C9H5F5O
Molecular Weight:
224.1274
MDL Number:
MFCD00236252
IUPAC Name:
1-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H5F5O/c1-4(15)5-2-3-6(9(12,13)14)8(11)7(5)10/h2-3H,1H3
InChI Key:
RRICBVAPDZGCHB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1F)F)C(F)(F)F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.13g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties