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1226168-85-9 | 3-Pyridinamine, 5-[3-(trifluoromethyl)phenyl]-
CAS No: 1226168-85-9 Catalog No: AG0017J9 MDL No:
Product Description
Catalog Number:
AG0017J9
Chemical Name:
3-Pyridinamine, 5-[3-(trifluoromethyl)phenyl]-
CAS Number:
1226168-85-9
Molecular Formula:
C12H9F3N2
Molecular Weight:
238.2085
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]pyridin-3-amine
InChI:
InChI=1S/C12H9F3N2/c13-12(14,15)10-3-1-2-8(4-10)9-5-11(16)7-17-6-9/h1-7H,16H2
InChI Key:
RYTRUWZURVKFJB-UHFFFAOYSA-N
SMILES:
Nc1cncc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.213g/mol
Monoisotopic Mass:
238.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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