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Home > Fluorides > 122548-18-9
122548-18-9 | Butanedinitrile, 2,3-bis(2,2,2-trifluoroethyl)-
CAS No: 122548-18-9 Catalog No: AG0017GE MDL No:
Product Description
Catalog Number:
AG0017GE
Chemical Name:
Butanedinitrile, 2,3-bis(2,2,2-trifluoroethyl)-
CAS Number:
122548-18-9
Molecular Formula:
C8H6F6N2
Molecular Weight:
244.1371
IUPAC Name:
2,3-bis(2,2,2-trifluoroethyl)butanedinitrile
InChI:
InChI=1S/C8H6F6N2/c9-7(10,11)1-5(3-15)6(4-16)2-8(12,13)14/h5-6H,1-2H2
InChI Key:
NWJLYZBRWBQPEO-UHFFFAOYSA-N
SMILES:
N#CC(C(CC(F)(F)F)C#N)CC(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.14g/mol
Monoisotopic Mass:
244.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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