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1216999-17-5 | 3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}aniline
CAS No: 1216999-17-5 Catalog No: AG01F975 MDL No:
Product Description
Catalog Number:
AG01F975
Chemical Name:
3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}aniline
CAS Number:
1216999-17-5
Molecular Formula:
C11H8F3N3O
Molecular Weight:
255.1959
IUPAC Name:
3-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
InChI:
InChI=1S/C11H8F3N3O/c12-11(13,14)9-4-5-16-10(17-9)18-8-3-1-2-7(15)6-8/h1-6H,15H2
InChI Key:
LEFLUFXNDQUWEM-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1nccc(n1)C(F)(F)F
Properties
Complexity:
275
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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