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1000152-83-9 | 2-Pyridinamine, 5-nitro-4-(trifluoromethyl)-
CAS No: 1000152-83-9 Catalog No: AG0000A9 MDL No:
Product Description
Catalog Number:
AG0000A9
Chemical Name:
2-Pyridinamine, 5-nitro-4-(trifluoromethyl)-
CAS Number:
1000152-83-9
Molecular Formula:
C6H4F3N3O2
Molecular Weight:
207.1101
IUPAC Name:
5-nitro-4-(trifluoromethyl)pyridin-2-amine
InChI:
InChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-5(10)11-2-4(3)12(13)14/h1-2H,(H2,10,11)
InChI Key:
WVKWPMZRKCPVKN-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.112g/mol
Monoisotopic Mass:
207.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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