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264616-57-1 | 2-Pyrimidinamine, 4-[3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl]-
CAS No: 264616-57-1 Catalog No: AG002TBC MDL No:MFCD00101560
Product Description
Catalog Number:
AG002TBC
Chemical Name:
2-Pyrimidinamine, 4-[3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl]-
CAS Number:
264616-57-1
Molecular Formula:
C14H9F3N4O
Molecular Weight:
306.2427
MDL Number:
MFCD00101560
IUPAC Name:
4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine
InChI:
InChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-7-12(22-21-11)10-4-5-19-13(18)20-10/h1-7H,(H2,18,19,20)
InChI Key:
BFSRVFMHEKYHRC-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1onc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.248g/mol
Monoisotopic Mass:
306.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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