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1147938-06-4 | Pyrimidine, 5-ethenyl-2-(trifluoromethyl)-
CAS No: 1147938-06-4 Catalog No: AG000F81 MDL No:
Product Description
Catalog Number:
AG000F81
Chemical Name:
Pyrimidine, 5-ethenyl-2-(trifluoromethyl)-
CAS Number:
1147938-06-4
Molecular Formula:
C7H5F3N2
Molecular Weight:
174.1232
IUPAC Name:
5-ethenyl-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C7H5F3N2/c1-2-5-3-11-6(12-4-5)7(8,9)10/h2-4H,1H2
InChI Key:
PKHHGHLXDADSQO-UHFFFAOYSA-N
SMILES:
C=Cc1cnc(nc1)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.126g/mol
Monoisotopic Mass:
174.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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