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Home > Fluorides > 139996-23-9
139996-23-9 | 1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CAS No: 139996-23-9 Catalog No: AG001BWK MDL No:
Product Description
Catalog Number:
AG001BWK
Chemical Name:
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CAS Number:
139996-23-9
Molecular Formula:
C4F5N3O
Molecular Weight:
201.0543
IUPAC Name:
2,4-difluoro-6-(trifluoromethoxy)-1,3,5-triazine
InChI:
InChI=1S/C4F5N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9
InChI Key:
PSENDDRUDSZEKO-UHFFFAOYSA-N
SMILES:
Fc1nc(nc(n1)F)OC(F)(F)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.056g/mol
Monoisotopic Mass:
200.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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