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1365808-06-5 | 3-(2-Iodoethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine-1-carbonitrile
CAS No: 1365808-06-5 Catalog No: AG01FH01 MDL No:
Product Description
Catalog Number:
AG01FH01
Chemical Name:
3-(2-Iodoethyl)-4-(1H,1H-perfluoroheptyl)pyrrolidine-1-carbonitrile
CAS Number:
1365808-06-5
IUPAC Name:
3-(2-iodoethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)pyrrolidine-1-carbonitrile
InChI:
InChI=1S/C14H12F13IN2/c15-9(16,3-8-5-30(6-29)4-7(8)1-2-28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,1-5H2
InChI Key:
MGNDUMCWTJYJSU-UHFFFAOYSA-N
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.984g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
582.148g/mol
Monoisotopic Mass:
581.984g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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