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Home > Fluorides > 1017464-05-9
1017464-05-9 | Pyrimidine, 4-methyl-2-(trifluoromethyl)-
CAS No: 1017464-05-9 Catalog No: AG0005DQ MDL No:MFCD09881360
Product Description
Catalog Number:
AG0005DQ
Chemical Name:
Pyrimidine, 4-methyl-2-(trifluoromethyl)-
CAS Number:
1017464-05-9
Molecular Formula:
C6H5F3N2
Molecular Weight:
162.1125
MDL Number:
MFCD09881360
IUPAC Name:
4-methyl-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C6H5F3N2/c1-4-2-3-10-5(11-4)6(7,8)9/h2-3H,1H3
InChI Key:
JHOQVQSTUMAGNQ-UHFFFAOYSA-N
SMILES:
FC(c1nccc(n1)C)(F)F
Properties
Complexity:
134
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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