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84315-25-3 | 5,7-Difluoro-1-indanone
CAS No: 84315-25-3 Catalog No: AG003MAR MDL No:MFCD09908161
Product Description
Catalog Number:
AG003MAR
Chemical Name:
5,7-Difluoro-1-indanone
CAS Number:
84315-25-3
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
MDL Number:
MFCD09908161
IUPAC Name:
5,7-difluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6F2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChI Key:
XWZGNWCKXLECBO-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c2c(c1)CCC2=O
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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