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Home > Fluorides > 130408-16-1
130408-16-1 | 1H-Inden-1-one, 4,7-difluoro-2,3-dihydro-
CAS No: 130408-16-1 Catalog No: AG000UDC MDL No:MFCD07772126
Product Description
Catalog Number:
AG000UDC
Chemical Name:
1H-Inden-1-one, 4,7-difluoro-2,3-dihydro-
CAS Number:
130408-16-1
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
MDL Number:
MFCD07772126
IUPAC Name:
4,7-difluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChI Key:
KMWBFTTYYGUTNW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1CCC2=O)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.143g/mol
Monoisotopic Mass:
168.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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