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1111105-03-3 | 5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CAS No: 1111105-03-3 Catalog No: AG01FP9D MDL No:MFCD11877104
Product Description
Catalog Number:
AG01FP9D
Chemical Name:
5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CAS Number:
1111105-03-3
Molecular Formula:
C11H8F3N3O
Molecular Weight:
255.1959
MDL Number:
MFCD11877104
IUPAC Name:
5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
InChI:
InChI=1S/C11H8F3N3O/c12-11(13,14)18-9-3-1-7(2-4-9)8-5-16-10(15)17-6-8/h1-6H,(H2,15,16,17)
InChI Key:
LAKCMOIDDWOAHA-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)c1cnc(nc1)N)(F)F
Properties
Complexity:
259
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:
2.7
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