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1217104-37-4

1217104-37-4 | Methoxyperfluorobutanes, mixture of n- and iso-butyl isomers

CAS No: 1217104-37-4 Catalog No: AG01F2DX MDL No:MFCD28505595

Product Description

Catalog Number:
AG01F2DX
Chemical Name:
Methoxyperfluorobutanes, mixture of n- and iso-butyl isomers
CAS Number:
1217104-37-4
Molecular Formula:
C10H6F18O2
Molecular Weight:
500.1247
MDL Number:
MFCD28505595
IUPAC Name:
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
InChI:
InChI=1S/2C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h2*1H3
InChI Key:
SXYHZEQKWNODPB-UHFFFAOYSA-N
SMILES:
COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F.COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Properties

Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.008g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.127g/mol
Monoisotopic Mass:
500.008g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Amide bond formation with a new fluorous carbodiimide: separation by reverse fluorous solid-phase extraction. Organic letters 20071011

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