Home Other Building Blocks 5,6,7-trifluoro-2,3-dihydro-1H-inden-1-one

5,6,7-trifluoro-2,3-dihydro-1H-inden-1-one

CAS No.:
1257844-57-7
Catalog Number:
AG01C1R2
Molecular Formula:
C9H5F3O
Molecular Weight:
186.1306
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Product Description
Catalog Number:
AG01C1R2
Chemical Name:
5,6,7-trifluoro-2,3-dihydro-1H-inden-1-one
CAS Number:
1257844-57-7
Molecular Formula:
C9H5F3O
Molecular Weight:
186.1306
MDL Number:
MFCD17284589
IUPAC Name:
5,6,7-trifluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H5F3O/c10-5-3-4-1-2-6(13)7(4)9(12)8(5)11/h3H,1-2H2
InChI Key:
JIAZZRGVQRLEPU-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(F)c(c(c2)F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.133g/mol
Monoisotopic Mass:
186.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties