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115224-00-5 | Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1S,4S)-
CAS No: 115224-00-5 Catalog No: AG000GGZ MDL No:
Product Description
Catalog Number:
AG000GGZ
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1S,4S)-
CAS Number:
115224-00-5
Molecular Formula:
C14H15F7O2
Molecular Weight:
348.2565
IUPAC Name:
(1S,4S)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m0/s1
InChI Key:
PEWOESYEGLBLNR-NSMOOJLNSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)C1C(=O)[C@@]2(C([C@H]1CC2)(C)C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
348.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.261g/mol
Monoisotopic Mass:
348.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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