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100991-12-6 | Pyrimidine, 5-(phenylmethoxy)-2-(trifluoromethyl)-
CAS No: 100991-12-6 Catalog No: AG0003E2 MDL No:
Product Description
Catalog Number:
AG0003E2
Chemical Name:
Pyrimidine, 5-(phenylmethoxy)-2-(trifluoromethyl)-
CAS Number:
100991-12-6
Molecular Formula:
C12H9F3N2O
Molecular Weight:
254.2079
IUPAC Name:
5-phenylmethoxy-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C12H9F3N2O/c13-12(14,15)11-16-6-10(7-17-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
JQKCYBTZYGBVTH-UHFFFAOYSA-N
SMILES:
FC(c1ncc(cn1)OCc1ccccc1)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.212g/mol
Monoisotopic Mass:
254.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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