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Home > Fluorides > 306976-22-7
306976-22-7 | Heptane, 1,1,1,2,2,3,3,4,4-nonafluoro-7,7-diisocyanato-
CAS No: 306976-22-7 Catalog No: AG0030ZI MDL No:
Product Description
Catalog Number:
AG0030ZI
Chemical Name:
Heptane, 1,1,1,2,2,3,3,4,4-nonafluoro-7,7-diisocyanato-
CAS Number:
306976-22-7
Molecular Formula:
C9H5F9N2O2
Molecular Weight:
344.1338
IUPAC Name:
1,1,1,2,2,3,3,4,4-nonafluoro-7,7-diisocyanatoheptane
InChI:
InChI=1S/C9H5F9N2O2/c10-6(11,2-1-5(19-3-21)20-4-22)7(12,13)8(14,15)9(16,17)18/h5H,1-2H2
InChI Key:
OHPLOIJMWHYFKT-UHFFFAOYSA-N
SMILES:
O=C=NC(N=C=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.021g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.137g/mol
Monoisotopic Mass:
344.021g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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