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101198-16-7

101198-16-7 | 1,3-Dioxane, 6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-

CAS No: 101198-16-7 Catalog No: AG0003XF MDL No:

Product Description

Catalog Number:
AG0003XF
Chemical Name:
1,3-Dioxane, 6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-
CAS Number:
101198-16-7
Molecular Formula:
C9H6F12O2
Molecular Weight:
374.1236
IUPAC Name:
6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-1,3-dioxane
InChI:
InChI=1S/C9H6F12O2/c1-3-2-4(6(10,11)12,7(13,14)15)23-5(22-3,8(16,17)18)9(19,20)21/h3H,2H2,1H3
InChI Key:
QAXROTNSAGEBJY-UHFFFAOYSA-N
SMILES:
CC1CC(OC(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.018g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.126g/mol
Monoisotopic Mass:
374.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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