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163702-07-6

163702-07-6 | Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-

CAS No: 163702-07-6 Catalog No: AG001UC0 MDL No:MFCD00674093

Product Description

Catalog Number:
AG001UC0
Chemical Name:
Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-
CAS Number:
163702-07-6
Molecular Formula:
C5H3F9O
Molecular Weight:
250.0623
MDL Number:
MFCD00674093
IUPAC Name:
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
InChI:
InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChI Key:
OKIYQFLILPKULA-UHFFFAOYSA-N
SMILES:
COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
EC Number:
605-339-3
UNII:
H637A50B7U

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.004g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.064g/mol
Monoisotopic Mass:
250.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Literature

Title Journal
Helical self-assembly and co-assembly of fluorinated, preorganized discotics. Organic & biomolecular chemistry 20120814
Broadband cylindrical acoustic cloak for linear surface waves in a fluid. Physical review letters 20080926
Novel CFCs-substitutes recommended by EPA (hydrofluorocarbon-245fa and hydrofluoroether-7100): ion chemistry in air plasma and reactions with atmospheric ions. Journal of the American Society for Mass Spectrometry 20050701

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