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2366-52-1 | Butane, 1-fluoro-
CAS No: 2366-52-1 Catalog No: AG002O2T MDL No:MFCD00039288
Product Description
Catalog Number:
AG002O2T
Chemical Name:
Butane, 1-fluoro-
CAS Number:
2366-52-1
Molecular Formula:
C4H9F
Molecular Weight:
76.1127
MDL Number:
MFCD00039288
IUPAC Name:
1-fluorobutane
InChI:
InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3
InChI Key:
FCBJLBCGHCTPAQ-UHFFFAOYSA-N
SMILES:
CCCCF
EC Number:
219-123-8
Properties
Complexity:
13.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.069g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
76.114g/mol
Monoisotopic Mass:
76.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| A ¹⁸F-labeled fluorobutyl-substituted spirocyclic piperidine derivative as a selective radioligand for PET Imaging of sigma₁ receptors. | ChemMedChem 20110801 |
| Theoretical studies of carbocations in ion pairs. 8. Search for anchimeric assistance in the ionization of 2-butyl cation precursors. | The journal of physical chemistry. A 20080403 |
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