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Home > Fluorides > 1261456-29-4
1261456-29-4 | Pyrimidine, 4-phenyl-2-(trifluoromethyl)-
CAS No: 1261456-29-4 Catalog No: AG000RR2 MDL No:MFCD18418173
Product Description
Catalog Number:
AG000RR2
Chemical Name:
Pyrimidine, 4-phenyl-2-(trifluoromethyl)-
CAS Number:
1261456-29-4
Molecular Formula:
C11H7F3N2
Molecular Weight:
224.1819
MDL Number:
MFCD18418173
IUPAC Name:
4-phenyl-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C11H7F3N2/c12-11(13,14)10-15-7-6-9(16-10)8-4-2-1-3-5-8/h1-7H
InChI Key:
LBXJNAZJQSUIHC-UHFFFAOYSA-N
SMILES:
FC(c1nccc(n1)c1ccccc1)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.186g/mol
Monoisotopic Mass:
224.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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