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89091-28-1 | 1,3,5-Triazin-2-amine, 4,6-difluoro-N-(3,3,3-trifluoropropyl)-
CAS No: 89091-28-1 Catalog No: AG003Z1N MDL No:
Product Description
Catalog Number:
AG003Z1N
Chemical Name:
1,3,5-Triazin-2-amine, 4,6-difluoro-N-(3,3,3-trifluoropropyl)-
CAS Number:
89091-28-1
Molecular Formula:
C6H5F5N4
Molecular Weight:
228.1227
IUPAC Name:
4,6-difluoro-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C6H5F5N4/c7-3-13-4(8)15-5(14-3)12-2-1-6(9,10)11/h1-2H2,(H,12,13,14,15)
InChI Key:
YGTQZPHFUVJREV-UHFFFAOYSA-N
SMILES:
Fc1nc(NCCC(F)(F)F)nc(n1)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.126g/mol
Monoisotopic Mass:
228.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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