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Home > Fluorides > 161712-79-4
161712-79-4 | 2H-Inden-2-one, 5,6-difluoro-1,3-dihydro-
CAS No: 161712-79-4 Catalog No: AG001VTY MDL No:MFCD12761551
Product Description
Catalog Number:
AG001VTY
Chemical Name:
2H-Inden-2-one, 5,6-difluoro-1,3-dihydro-
CAS Number:
161712-79-4
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
MDL Number:
MFCD12761551
IUPAC Name:
5,6-difluoro-1,3-dihydroinden-2-one
InChI:
InChI=1S/C9H6F2O/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4H,1-2H2
InChI Key:
FPOCXYWEBBMGFD-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(C1)cc(c(c2)F)F
Properties
Complexity:
185
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:
1.5
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