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58380-93-1 | 3-(2,2,3,4,4,4-Hexafluoro-butoxy)-propionitrile
CAS No: 58380-93-1 Catalog No: AG01EWJF MDL No:
Product Description
Catalog Number:
AG01EWJF
Chemical Name:
3-(2,2,3,4,4,4-Hexafluoro-butoxy)-propionitrile
CAS Number:
58380-93-1
Molecular Formula:
C7H7F6NO
Molecular Weight:
235.1270
IUPAC Name:
3-(2,2,3,4,4,4-hexafluorobutoxy)propanenitrile
InChI:
InChI=1S/C7H7F6NO/c8-5(7(11,12)13)6(9,10)4-15-3-1-2-14/h5H,1,3-4H2
InChI Key:
PTBVKWSTVYTUJI-UHFFFAOYSA-N
SMILES:
FC(C(COCCC#N)(F)F)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.129g/mol
Monoisotopic Mass:
235.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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