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1555-24-4 | 1,3,4-Oxadiazole, 2,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-
CAS No: 1555-24-4 Catalog No: AG001NYU MDL No:
Product Description
Catalog Number:
AG001NYU
Chemical Name:
1,3,4-Oxadiazole, 2,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-
CAS Number:
1555-24-4
Molecular Formula:
C16F30N2O
Molecular Weight:
806.1361
IUPAC Name:
2,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C16F30N2O/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-48-2(49-1)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
InChI Key:
VVOTYYPWCSKPKQ-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nnc(o1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
805.953g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
33
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
806.141g/mol
Monoisotopic Mass:
805.953g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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