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1246555-78-1 | Pyrimidine, 4-chloro-5-fluoro-2,6-diphenyl-
CAS No: 1246555-78-1 Catalog No: AG000MJ1 MDL No:
Product Description
Catalog Number:
AG000MJ1
Chemical Name:
Pyrimidine, 4-chloro-5-fluoro-2,6-diphenyl-
CAS Number:
1246555-78-1
Molecular Formula:
C16H10ClFN2
Molecular Weight:
284.7154
IUPAC Name:
4-chloro-5-fluoro-2,6-diphenylpyrimidine
InChI:
InChI=1S/C16H10ClFN2/c17-15-13(18)14(11-7-3-1-4-8-11)19-16(20-15)12-9-5-2-6-10-12/h1-10H
InChI Key:
BCPWQGZLEOITLC-UHFFFAOYSA-N
SMILES:
Fc1c(Cl)nc(nc1c1ccccc1)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.718g/mol
Monoisotopic Mass:
284.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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