Home Other Building Blocks 1-(3-fluorophenyl)-2-(trifluoromethoxy)ethan-1-one

1-(3-fluorophenyl)-2-(trifluoromethoxy)ethan-1-one

CAS No.:
1334148-55-8
Catalog Number:
AG01AJS8
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
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Product Description
Catalog Number:
AG01AJS8
Chemical Name:
1-(3-fluorophenyl)-2-(trifluoromethoxy)ethan-1-one
CAS Number:
1334148-55-8
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD19686358
IUPAC Name:
1-(3-fluorophenyl)-2-(trifluoromethoxy)ethanone
InChI:
InChI=1S/C9H6F4O2/c10-7-3-1-2-6(4-7)8(14)5-15-9(11,12)13/h1-4H,5H2
InChI Key:
QSYZDOSXNLTVMF-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(=O)COC(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:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties