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Home > Fluorides > 116935-86-5
116935-86-5 | Bicyclo[2.2.2]octane-1-carbonyl fluoride
CAS No: 116935-86-5 Catalog No: AG000DED MDL No:
Product Description
Catalog Number:
AG000DED
Chemical Name:
Bicyclo[2.2.2]octane-1-carbonyl fluoride
CAS Number:
116935-86-5
Molecular Formula:
C9H13FO
Molecular Weight:
156.1973
IUPAC Name:
bicyclo[2.2.2]octane-1-carbonyl fluoride
InChI:
InChI=1S/C9H13FO/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2
InChI Key:
QRXGPWZIBNQHQC-UHFFFAOYSA-N
SMILES:
FC(=O)C12CCC(CC1)CC2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.2g/mol
Monoisotopic Mass:
156.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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