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13171-18-1 | Propane, 1,1,1,3,3,3-hexafluoro-2-methoxy-
CAS No: 13171-18-1 Catalog No: AG000ZMB MDL No:MFCD00221772
Product Description
Catalog Number:
AG000ZMB
Chemical Name:
Propane, 1,1,1,3,3,3-hexafluoro-2-methoxy-
CAS Number:
13171-18-1
Molecular Formula:
C4H4F6O
Molecular Weight:
182.0644
MDL Number:
MFCD00221772
IUPAC Name:
1,1,1,3,3,3-hexafluoro-2-methoxypropane
InChI:
InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
InChI Key:
VNXYDFNVQBICRO-UHFFFAOYSA-N
SMILES:
COC(C(F)(F)F)C(F)(F)F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.065g/mol
Monoisotopic Mass:
182.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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