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Home > Fluorides > 131771-31-8
131771-31-8 | Furan, 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)tetrahydro-4-(iodomethyl)-
CAS No: 131771-31-8 Catalog No: AG000ZPC MDL No:MFCD01320758
Product Description
Catalog Number:
AG000ZPC
Chemical Name:
Furan, 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)tetrahydro-4-(iodomethyl)-
CAS Number:
131771-31-8
Molecular Formula:
C14H10F17IO
Molecular Weight:
644.1059
MDL Number:
MFCD01320758
IUPAC Name:
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)oxolane
InChI:
InChI=1S/C14H10F17IO/c15-7(16,1-5-3-33-4-6(5)2-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,1-4H2
InChI Key:
QBAODHXWEYFWJU-UHFFFAOYSA-N
SMILES:
ICC1COCC1CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.95g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
644.11g/mol
Monoisotopic Mass:
643.95g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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