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Home > Fluorides > 124787-45-7
124787-45-7 | Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-(trifluoromethoxy)-
CAS No: 124787-45-7 Catalog No: AG000MR6 MDL No:
Product Description
Catalog Number:
AG000MR6
Chemical Name:
Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-(trifluoromethoxy)-
CAS Number:
124787-45-7
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
IUPAC Name:
1-(2-methylbut-3-yn-2-yloxy)-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C12H11F3O2/c1-4-11(2,3)16-9-5-7-10(8-6-9)17-12(13,14)15/h1,5-8H,2-3H3
InChI Key:
PTMWDYOIWOFQEO-UHFFFAOYSA-N
SMILES:
C#CC(Oc1ccc(cc1)OC(F)(F)F)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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