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130171-52-7 | 2,6-Pyridinediamine, 4-(trifluoromethyl)-
CAS No: 130171-52-7 Catalog No: AG000U3C MDL No:MFCD00128899
Product Description
Catalog Number:
AG000U3C
Chemical Name:
2,6-Pyridinediamine, 4-(trifluoromethyl)-
CAS Number:
130171-52-7
Molecular Formula:
C6H6F3N3
Molecular Weight:
177.1271
MDL Number:
MFCD00128899
IUPAC Name:
4-(trifluoromethyl)pyridine-2,6-diamine
InChI:
InChI=1S/C6H6F3N3/c7-6(8,9)3-1-4(10)12-5(11)2-3/h1-2H,(H4,10,11,12)
InChI Key:
HSJXBBISBKAWAL-UHFFFAOYSA-N
SMILES:
FC(c1cc(N)nc(c1)N)(F)F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.13g/mol
Monoisotopic Mass:
177.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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