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139996-27-3 | 1,3,5-Triazin-2-amine, 4-fluoro-N-methyl-6-(trifluoromethoxy)-
CAS No: 139996-27-3 Catalog No: AG001BWJ MDL No:MFCD24556734
Product Description
Catalog Number:
AG001BWJ
Chemical Name:
1,3,5-Triazin-2-amine, 4-fluoro-N-methyl-6-(trifluoromethoxy)-
CAS Number:
139996-27-3
Molecular Formula:
C5H4F4N4O
Molecular Weight:
212.1051
MDL Number:
MFCD24556734
IUPAC Name:
4-fluoro-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C5H4F4N4O/c1-10-3-11-2(6)12-4(13-3)14-5(7,8)9/h1H3,(H,10,11,12,13)
InChI Key:
NHSRJTGWJHSYJQ-UHFFFAOYSA-N
SMILES:
CNc1nc(nc(n1)F)OC(F)(F)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:
212.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.108g/mol
Monoisotopic Mass:
212.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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