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13727-38-3 | 1,3-Dioxane, 5,5-bis(fluoromethyl)-2-methyl-
CAS No: 13727-38-3 Catalog No: AG00131D MDL No:
Product Description
Catalog Number:
AG00131D
Chemical Name:
1,3-Dioxane, 5,5-bis(fluoromethyl)-2-methyl-
CAS Number:
13727-38-3
Molecular Formula:
C7H12F2O2
Molecular Weight:
166.1658
IUPAC Name:
5,5-bis(fluoromethyl)-2-methyl-1,3-dioxane
InChI:
InChI=1S/C7H12F2O2/c1-6-10-4-7(2-8,3-9)5-11-6/h6H,2-5H2,1H3
InChI Key:
HEKRFJMOFHBHIW-UHFFFAOYSA-N
SMILES:
FCC1(CF)COC(OC1)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.168g/mol
Monoisotopic Mass:
166.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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