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22947-58-6

22947-58-6 | Bicyclo[2.2.2]octane, 1-fluoro-4-phenyl-

CAS No: 22947-58-6 Catalog No: AG002LMS MDL No:

Product Description

Catalog Number:
AG002LMS
Chemical Name:
Bicyclo[2.2.2]octane, 1-fluoro-4-phenyl-
CAS Number:
22947-58-6
Molecular Formula:
C14H17F
Molecular Weight:
204.2832
IUPAC Name:
1-fluoro-4-phenylbicyclo[2.2.2]octane
InChI:
InChI=1S/C14H17F/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChI Key:
MGDUNIIVLIWNOL-UHFFFAOYSA-N
SMILES:
FC12CCC(CC1)(CC2)c1ccccc1
NSC Number:
300595

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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