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176214-10-1 | Pyrimidine, 2-methyl-5-(trifluoromethyl)-
CAS No: 176214-10-1 Catalog No: AG0024H8 MDL No:
Product Description
Catalog Number:
AG0024H8
Chemical Name:
Pyrimidine, 2-methyl-5-(trifluoromethyl)-
CAS Number:
176214-10-1
Molecular Formula:
C6H5F3N2
Molecular Weight:
162.1125
IUPAC Name:
2-methyl-5-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C6H5F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h2-3H,1H3
InChI Key:
CCZUZCTXCDEUNY-UHFFFAOYSA-N
SMILES:
FC(c1cnc(nc1)C)(F)F
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.115g/mol
Monoisotopic Mass:
162.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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