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168915-00-2 | Pyrimidine, 4,6-bis(4-fluorophenyl)-
CAS No: 168915-00-2 Catalog No: AG001YDB MDL No:
Product Description
Catalog Number:
AG001YDB
Chemical Name:
Pyrimidine, 4,6-bis(4-fluorophenyl)-
CAS Number:
168915-00-2
Molecular Formula:
C16H10F2N2
Molecular Weight:
268.2608
IUPAC Name:
4,6-bis(4-fluorophenyl)pyrimidine
InChI:
InChI=1S/C16H10F2N2/c17-13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(18)8-4-12/h1-10H
InChI Key:
QHXSHRCALYKRKU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ncnc(c1)c1ccc(cc1)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.267g/mol
Monoisotopic Mass:
268.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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