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871240-11-8 | 4-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}aniline
CAS No: 871240-11-8 Catalog No: AG01EY0W MDL No:
Product Description
Catalog Number:
AG01EY0W
Chemical Name:
4-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}aniline
CAS Number:
871240-11-8
Molecular Formula:
C11H8F3N3O
Molecular Weight:
255.1959
IUPAC Name:
4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyaniline
InChI:
InChI=1S/C11H8F3N3O/c12-11(13,14)10-16-6-5-9(17-10)18-8-3-1-7(15)2-4-8/h1-6H,15H2
InChI Key:
LRAWJNQDGFKVGV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ccnc(n1)C(F)(F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.2g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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