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100345-66-2 | Pyrimidine, 5-fluoro-2-(trifluoromethyl)-
CAS No: 100345-66-2 Catalog No: AG0001OG MDL No:
Product Description
Catalog Number:
AG0001OG
Chemical Name:
Pyrimidine, 5-fluoro-2-(trifluoromethyl)-
CAS Number:
100345-66-2
Molecular Formula:
C5H2F4N2
Molecular Weight:
166.0764
IUPAC Name:
5-fluoro-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C5H2F4N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
InChI Key:
PNRUICDRYSCUKZ-UHFFFAOYSA-N
SMILES:
Fc1cnc(nc1)C(F)(F)F
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.079g/mol
Monoisotopic Mass:
166.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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