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166770-70-3 | 3-Pyridinamine, 2-chloro-4-(trifluoromethyl)-
CAS No: 166770-70-3 Catalog No: AG001WXN MDL No:MFCD09863900
Product Description
Catalog Number:
AG001WXN
Chemical Name:
3-Pyridinamine, 2-chloro-4-(trifluoromethyl)-
CAS Number:
166770-70-3
Molecular Formula:
C6H4ClF3N2
Molecular Weight:
196.5576
MDL Number:
MFCD09863900
IUPAC Name:
2-chloro-4-(trifluoromethyl)pyridin-3-amine
InChI:
InChI=1S/C6H4ClF3N2/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H,11H2
InChI Key:
KFMUXCNJJIWKRE-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1N)C(F)(F)F
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.557g/mol
Monoisotopic Mass:
196.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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