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Home > Fluorides > 918299-22-6

918299-22-6

918299-22-6 | 1,4-Ethanonaphthalen-2(1H)-one, 7-fluoro-4-hexyl-3,4-dihydro-

CAS No: 918299-22-6 Catalog No: AG006GID MDL No:

Product Description

Catalog Number:
AG006GID
Chemical Name:
1,4-Ethanonaphthalen-2(1H)-one, 7-fluoro-4-hexyl-3,4-dihydro-
CAS Number:
918299-22-6
Molecular Formula:
C18H23FO
Molecular Weight:
274.3730
IUPAC Name:
5-fluoro-1-hexyltricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-one
InChI:
InChI=1S/C18H23FO/c1-2-3-4-5-9-18-10-8-14(17(20)12-18)15-11-13(19)6-7-16(15)18/h6-7,11,14H,2-5,8-10,12H2,1H3
InChI Key:
PZMGNNJMNQWXCJ-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(C(=O)C1)c1c2ccc(c1)F

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.173g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.379g/mol
Monoisotopic Mass:
274.173g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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