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114963-95-0 | Pyrimidine, 2-chloro-4-ethoxy-6-(trifluoromethyl)-
CAS No: 114963-95-0 Catalog No: AG000FI2 MDL No:
Product Description
Catalog Number:
AG000FI2
Chemical Name:
Pyrimidine, 2-chloro-4-ethoxy-6-(trifluoromethyl)-
CAS Number:
114963-95-0
Molecular Formula:
C7H6ClF3N2O
Molecular Weight:
226.5835
IUPAC Name:
2-chloro-4-ethoxy-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C7H6ClF3N2O/c1-2-14-5-3-4(7(9,10)11)12-6(8)13-5/h3H,2H2,1H3
InChI Key:
NCABPHJLFXMGTK-UHFFFAOYSA-N
SMILES:
CCOc1nc(Cl)nc(c1)C(F)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.583g/mol
Monoisotopic Mass:
226.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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